Responsive image

Common name

N,N-dimethylethanamine

IUPAC name

N,N-dimethylethanamine

SMILES

C(C)N(C)C

Common name

N,N-dimethylethanamine

IUPAC name

N,N-dimethylethanamine

SMILES

C(C)N(C)C

INCHI

InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3

FORMULA

C4H11N

Responsive image

Common name

N,N-dimethylethanamine

IUPAC name

N,N-dimethylethanamine





Molecular weight

73.137

clogP

-0.179

clogS

-0.646

Frequency

0.0299





HBond Acceptor

1

HBond Donor

0

Total Polar
Surface Area

3.24

Number of Rings

0

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00092 Dofetilide Responsive image Anti-Arrhythmia Agents; Potassium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; CYP3A4 Inhibitors; For the maintenance of normal sinus rhythm (delay in time to recurrence of atrial fibrillation/atrial flutter [AF/AFl]) in patients with atrial fibrillation/atrial flutter of greater than one week duration who have been converted to normal sinus rhythm.
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.
FDBD00107 Oxyphenonium Responsive image Muscarinic Antagonists; Parasympatholytics; Mydriatics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; For the treatment of visceral spasms.
FDBD00117 Cefotiam Responsive image Anti-Bacterial Agents; Cephalosporins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Second-Generation Cephalosporins; For treatment of severe infections caused by susceptible bacteria.
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.
FDBD00172 Venlafaxine Responsive image Antidepressive Agents, Second-Generation; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Cytochrome P-450 CYP2C9 Inhibitors; Serotonin and Noradrenaline Reuptake Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; For the management of major depressive disorder (MDD), generalized anxiety disorder (GAD), social anxiety disorder (social phobia), panic disorder with or without agoraphobia, vasomotor symptoms in women with breast cancer and in postmenopausal women, and neuropathic pain.
FDBD00195 Ibutilide Responsive image Anti-Arrhythmia Agents; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Indicated for the rapid conversion of atrial fibrillation or atrial flutter of recent onset to sinus rhythm.
FDBD00201 Zolmitriptan Responsive image Analgesics; Serotonin Antagonists; Serotonin 5-HT1 Receptor Agonists; Serotonin Receptor Agonists; Anti-migraine Agents; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; For the acute treatment of adult migraine with or without auras.
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.
87 , 9
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4bgk_ligand_2_5.mol2 4bgk 1 -6.10 [N+](C)(C)(C)CC 6
4bhf_ligand_1_0.mol2 4bhf 1 -6.10 [N+](C)(C)(C)CC 6
1uv6_ligand_2_0.mol2 1uv6 1 -6.07 CC[N+](C)(C)C 6
4c5w_ligand_2_1.mol2 4c5w 1 -6.03 CC[N+](C)(C)C 6
4bgm_ligand_3_6.mol2 4bgm 1 -6.00 [N+](C)(C)(CC)C 6
3feg_ligand_3_74.mol2 3feg 1 -5.96 CC[N+](C)(C)C 6
2ha0_ligand_2_0.mol2 2ha0 1 -5.89 C([N+](C)(C)C)C 6
577 , 58