Responsive image

Common name

N,N-dimethylpropan-1-amine

IUPAC name

N,N-dimethylpropan-1-amine

SMILES

N(C)(C)CCC

Common name

N,N-dimethylpropan-1-amine

IUPAC name

N,N-dimethylpropan-1-amine

SMILES

N(C)(C)CCC

INCHI

InChI=1S/C5H13N/c1-4-5-6(2)3/h4-5H2,1-3H3

FORMULA

C5H13N

Responsive image

Common name

N,N-dimethylpropan-1-amine

IUPAC name

N,N-dimethylpropan-1-amine





Molecular weight

87.163

clogP

0.237

clogS

-1.084

Frequency

0.0113





HBond Acceptor

1

HBond Donor

0

Total Polar
Surface Area

3.24

Number of Rings

0

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00103 Citalopram Responsive image Antidepressive Agents, Second-Generation; Serotonin Uptake Inhibitors; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Selective Serotonin 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; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; For the treatment of depression. Unlabeled indications include: treatment of mild dementia-associated agitation in nonpsychotic patients, smoking cessation, ethanol abuse, obsessive-compulsive disorder (OCD) in children, and diabetic neuropathy.
FDBD00136 Cabergoline Responsive image Antineoplastic Agents; Antiparkinson Agents; Dopamine Agonists; Genito Urinary System and Sex Hormones; Nervous System; Anti-Parkinson Drugs; Prolactine Inhibitors; Dopaminergic Agents; CYP3A4 Inhibitors; For the treatment of hyperprolactinemic disorders, either idiopathic or due to prolactinoma (prolactin-secreting adenomas). May also be used to manage symptoms of Parkinsonian Syndrome as monotherapy during initial symptomatic management or as an adjunct to levodopa therapy during advanced stages of disease.
FDBD00156 Ropinirole Responsive image Antiparkinson Agents; Dopamine Agonists; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Dopaminergic Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Alpha2 Agonists; For the treatment of the signs and symptoms of idiopathic Parkinson's disease. Also used for the treatment of restless legs syndrome.
FDBD00285 Dexbrompheniramine Responsive image Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Antihistamines for Systemic Use; Substituted Alkylamines; For treatment and relief of symptoms of allergies, hay fever, and colds.
FDBD00297 Promazine Responsive image Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Antiemetics; Dopamine Antagonists; Phenothiazines; Nervous System; Psycholeptics; Phenothiazines With Aliphatic Side-Chain; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; Used as an adjunct for short term treatment of moderate and severe psychomotor agitation. Also used to treat agitation or restlessness in the elderly.
FDBD00333 Imipramine Responsive image Adrenergic Uptake Inhibitors; Antidepressive Agents, Tricyclic; Adrenergic alpha-1 Receptor Antagonists; 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; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; For the relief of symptoms of depression and as temporary adjunctive therapy in reducing enuresis in children aged 6 years and older. May also be used to manage panic disorders, with or without agoraphobia, as a second line agent in ADHD, management of eating disorders, for short-term management of acute depressive episodes in bipolar disorder and schizophrenia, and for symptomatic treatment of postherpetic neuralgia.
FDBD00350 Chlorpromazine Responsive image Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Antiemetics; Dopamine Antagonists; Phenothiazines; Nervous System; Psycholeptics; Phenothiazines With Aliphatic Side-Chain; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; For the treatment of schizophrenia, control nausea and vomiting, For relief of restlessness and apprehension before surgery, adjunct in the treatment of tetanus, control the manifestations of the manic type of manic-depressive illness.
FDBD00379 Triflupromazine Responsive image Antipsychotic Agents; Antiemetics; Dopamine Antagonists; Nervous System; Psycholeptics; Phenothiazines With Aliphatic Side-Chain; Used mainly in the management of psychoses. Also used to control nausea and vomiting.
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.
FDBD00512 Dextropropoxyphene Responsive image Analgesics; Analgesics, Opioid; Narcotics; Antitussive Agents; Nervous System; Opioids; Diphenylpropylamine Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; For the relief of mild to moderate pain.
33 , 4
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