Responsive image

Common name

N-methylpropan-1-amine

IUPAC name

N-methylpropan-1-amine

SMILES

N(CCC)C

Common name

N-methylpropan-1-amine

IUPAC name

N-methylpropan-1-amine

SMILES

N(CCC)C

INCHI

InChI=1S/C4H11N/c1-3-4-5-2/h5H,3-4H2,1-2H3

FORMULA

C4H11N

Responsive image

Common name

N-methylpropan-1-amine

IUPAC name

N-methylpropan-1-amine





Molecular weight

73.137

clogP

0.266

clogS

-1.379

Frequency

0.0148





HBond Acceptor

0

HBond Donor

1

Total Polar
Surface Area

12.03

Number of Rings

0

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00397 Lercanidipine Responsive image Antihypertensive Agents; Calcium Channel Blockers; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Angiotensin II Antagonists and Calcium Channel Blockers; ACE Inhibitors and Calcium Channel Blockers; Dihydropyridine Derivatives; Selective Calcium Channel Blockers With Mainly Vascular Effects; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; For the treatment of Hypertension, management of angina pectoris and Raynaud's syndrome.
FDBD00526 Verapamil Responsive image Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors and Calcium Channel Blockers; Selective Calcium Channel Blockers With Direct Cardiac Effects; Phenylalkylamine Derivatives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; For the treatment of hypertension, angina, and cluster headache prophylaxis.
FDBD00574 Ibandronate Responsive image Bone Density Conservation Agents; Antihypocalcemic Agents; Antiresorptives; Bisphosphonates; Musculo-Skeletal System; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases; For the treatment and prevention of osteoporosis in postmenopausal women.
FDBD00789 Maprotiline Responsive image Antidepressive Agents, Second-Generation; Adrenergic Uptake Inhibitors; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Non-Selective Monoamine Reuptake Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); For treatment of depression, including the depressed phase of bipolar depression, psychotic depression, and involutional melancholia, and may also be helpful in treating certain patients suffering severe depressive neurosis.
FDBD00793 Salmeterol Responsive image Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; Beta2 Agonists; For the treatment of asthma and chronic obstructive pulmonary disease (COPD).
FDBD00885 Probenecid Responsive image Adjuvants, Pharmaceutic; Uricosuric Agents; Musculo-Skeletal System; Antigout Preparations; Preparations Increasing Uric Acid Excretion; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; For the reduction of serum uric acid concentrations in chronic gouty arthritis and tophaceous gout in patients with frequent disabling gout attacks. Has also been effectively used to promote uric acid excretion in hyperuricemia secondary to the administration of thiazide and related diuretics.
FDBD00952 Arbutamine Responsive image Cardiovascular System; Cardiac Therapy; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; Beta2 Agonists; Used to elicit acute cardiovascular responses (cardiac stumulant), similar to those produced by exercise, in order to aid in diagnosing the presence or absence of coronary artery disease (CAD) in patients who cannot exercise adequately.
FDBD00999 Desipramine Responsive image Enzyme Inhibitors; Adrenergic Uptake Inhibitors; Antidepressive Agents, Tricyclic; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Non-Selective Monoamine Reuptake Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; For relief of symptoms in various depressive syndromes, especially endogenous depression. It has also been used to manage chronic peripheral neuropathic pain, as a second line agent for the management of anxiety disorders (e.g. panic disorder, generalized anxiety disorder), and as a second or third line agent in the ADHD management.
FDBD01028 Propafenone Responsive image Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ic; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Used to prolong the time to recurrence of paroxysmal atrial fibrillation/flutter (PAF) associated with disabling symptoms in patients without structural heart disease. Also used for the treatment of life-threatening documented ventricular arrhythmias, such as sustained ventricular tachycardia.
FDBD01088 Bepridil Responsive image Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; CYP2D6 Inducers; CYP2D6 Inducers (strong); For the treatment of hypertension, and chronic stable angina (classic effort-associated angina).
43 , 5
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4bgk_ligand_3_3.mol2 4bgk 1 -6.34 [N+](C)(C)(C)CCC 7
4fmu_ligand_2_22.mol2 4fmu 1 -6.21 C[NH2+]CCC 5
1pot_ligand_3_10.mol2 1pot 1 -6.20 C(C[NH2+]C)C 5
3fhe_ligand_4_121.mol2 3fhe 1 -5.98 C[NH+](CCC)C 6
4fmu_ligand_3_22.mol2 4fmu 1 -5.98 C([NH2+]C)CC 5
1p0y_ligand_2_5.mol2 1p0y 1 -5.96 C([NH2+]C)CC 5
3k26_ligand_3_85.mol2 3k26 1 -5.95 C([N+](C)(C)C)CC 7
3iiw_ligand_3_781.mol2 3iiw 1 -5.94 C([N+](C)(C)C)CC 7
3jzg_ligand_3_550.mol2 3jzg 1 -5.94 CCC[N+](C)(C)C 7
211 , 22