Common name
N,N,2-trimethylpropan-1-amine
IUPAC name
N,N,2-trimethylpropan-1-amine
SMILES
CN(CC(C)C)C
Common name
N,N,2-trimethylpropan-1-amine
IUPAC name
N,N,2-trimethylpropan-1-amine
SMILES
CN(CC(C)C)C
INCHI
InChI=1S/C6H15N/c1-6(2)5-7(3)4/h6H,5H2,1-4H3
FORMULA
C6H15N
Common name
N,N,2-trimethylpropan-1-amine
IUPAC name
N,N,2-trimethylpropan-1-amine
Molecular weight
101.190
clogP
0.492
clogS
-1.141
Frequency
0.0024
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00397 | Lercanidipine |
|
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. |
| FDBD00590 | Trimipramine |
|
Adrenergic Uptake Inhibitors; Antidepressive Agents, Tricyclic; Adrenergic alpha-1 Receptor Antagonists; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Non-Selective Monoamine Reuptake Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of depression and depression accompanied by anxiety, agitation or sleep disturbance. |
| FDBD01090 | Alimemazine |
|
Antipruritics; Respiratory System; Antihistamines for Systemic Use; Phenothiazine Derivatives; CYP3A4 Inhibitors; | Used to prevent and relieve allergic conditions which cause pruritus (itching) and urticaria (some allergic skin reactions). |
| FDBD01181 | Methotrimeprazine |
|
Antipsychotic Agents; Analgesics, Non-Narcotic; Adrenergic alpha-1 Receptor Antagonists; Dopamine Antagonists; 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); | For the treatment of psychosis, particular those of schizophrenia, and manic phases of bipolar disorder. |
| FDBD01384 | Tapentadol |
|
Analgesics; Nervous System; Opioids; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | The immediate-release formulation of tapentadol is indicated for the relief of moderate to severe acute pain. The long-acting formulation serves as a continuous, around-the-clock analgesic that is indicated for the relief of moderate to severe chronic pain or neuropathic pain associated with diabetic peripheral neuropathy. |
| FDBD01618 | Cyamemazine |
|
Antipsychotic Agents; Nervous System; Psycholeptics; Phenothiazines With Aliphatic Side-Chain; | |
| FDBD01627 | Butriptyline |
|
Nervous System; Antidepressants; Psychoanaleptics; Non-Selective Monoamine Reuptake Inhibitors; |
7 ,
1
| 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
