Responsive image

Common name

N,N-dimethylmethanamine

IUPAC name

N,N-dimethylmethanamine

SMILES

N(C)(C)C

Common name

N,N-dimethylmethanamine

IUPAC name

N,N-dimethylmethanamine

SMILES

N(C)(C)C

INCHI

InChI=1S/C3H9N/c1-4(2)3/h1-3H3

FORMULA

C3H9N

Responsive image

Common name

N,N-dimethylmethanamine

IUPAC name

N,N-dimethylmethanamine





Molecular weight

59.110

clogP

-0.577

clogS

-0.200

Frequency

0.0371





HBond Acceptor

1

HBond Donor

0

Total Polar
Surface Area

3.24

Number of Rings

0

Rotatable Bond

0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00207 Amitriptyline Responsive image Adrenergic Uptake Inhibitors; Analgesics, Non-Narcotic; 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 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); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; For the treatment of depression, chronic pain, irritable bowel syndrome, sleep disorders, diabetic neuropathy, agitation and insomnia, and migraine prophylaxis.
FDBD00227 Diltiazem Responsive image Antihypertensive Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular Agents; Cardiovascular System; Muscle Relaxants; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Benzothiazepine Derivatives; Selective Calcium Channel Blockers With Direct Cardiac Effects; 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; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; For the treatment of Hypertension.
FDBD00249 Doxylamine Responsive image Histamine H1 Antagonists; Antiemetics; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; Used alone as a short-term sleep aid, in combination with other drugs as a night-time cold and allergy relief drug. Also used in combination with Vitamin B6 (pyridoxine) to prevent morning sickness in pregnant women.
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.
FDBD00290 Carbachol Responsive image Cardiotonic Agents; Analgesics, Non-Narcotic; Parasympathomimetics; Cholinergic Agonists; Miotics; Ophthalmologicals; Sensory Organs; Alimentary Tract and Metabolism; Nervous System; Antiglaucoma Preparations and Miotics; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; Choline Esters; Primarily used in the treatment of glaucoma, but is also used during ophthalmic surgery.
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.
108 , 11
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2reg_ligand_1_1.mol2 2reg 1 -5.84 C[N+](C)(C)C 5
2rin_ligand_1_0.mol2 2rin 1 -5.74 C[N+](C)(C)C 5
4bgk_ligand_1_3.mol2 4bgk 1 -5.64 [N+](C)(C)(C)C 5
4c5w_ligand_1_0.mol2 4c5w 1 -5.64 C[N+](C)(C)C 5
1sw2_ligand_frag_0.mol2 1sw2 1 -5.63 [NH+](C)(C)C 4
892 , 90