Common name
N-isopropyl-N-methyl-propan-2-amine
IUPAC name
N-isopropyl-N-methyl-propan-2-amine
SMILES
N(C)(C(C)C)C(C)C
Common name
N-isopropyl-N-methyl-propan-2-amine
IUPAC name
N-isopropyl-N-methyl-propan-2-amine
SMILES
N(C)(C(C)C)C(C)C
INCHI
InChI=1S/C7H17N/c1-6(2)8(5)7(3)4/h6-7H,1-5H3
FORMULA
C7H17N
Common name
N-isopropyl-N-methyl-propan-2-amine
IUPAC name
N-isopropyl-N-methyl-propan-2-amine
Molecular weight
115.217
clogP
0.751
clogS
-1.194
Frequency
0.0017
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 |
|---|---|---|---|---|
| FDBD00167 | Disopyramide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ia; CYP3A4 Inhibitors; | For the treatment of documented ventricular arrhythmias, such as sustained ventricular tachycardia, ventricular pre-excitation and cardiac dysrhythmias. It is a Class Ia antiarrhythmic drug. |
| FDBD00645 | Propantheline |
|
Anti-Ulcer Agents; Muscarinic Antagonists; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; | For the treatment of enuresis. It has also been used for hyperhidrosis, and cramps or spasms of the stomach, intestines or bladder. |
| FDBD00889 | Tolterodine |
|
Muscarinic Antagonists; Anti-Incontinence Agents; Antispasmodics; Muscle Relaxants, Genitourinary; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Cytochrome P-450 CYP2C9 Inhibitors; Urological Agents; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of overactive bladder (with symptoms of urinary frequency, urgency, or urge incontinence). |
| FDBD01274 | Isopropamide |
|
Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; | For the treatment of a wide range of gastrointestinal disorders, including such conditions as peptic ulcer, gastritis, hyperchlorhydria, functional diarrhea, irritable or spastic colon, pyloroduodenal irritability, pylorospasm, acute nonspecific gastroenteritis, biliary dyskinesia and chronic cholelithiasis, duodenitis, gastrointestinal spasm; it may also be used to treat genitourinary spasm. |
| FDBD01442 | Fesoterodine |
|
Muscarinic Antagonists; Anti-Incontinence Agents; Antispasmodics; Muscle Relaxants, Genitourinary; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Urological Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of overactive bladder (with symptoms of urinary frequency, urgency, or urge incontinence). |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3acx_ligand_2_15.mol2 | 3acx | 1 | -6.07 | C(C)(C)[NH2+]CC | 6 |
| 4eki_ligand_3_100.mol2 | 4eki | 1 | -6.04 | C(C)(C)[NH2+]CC | 6 |
| 4eki_ligand_4_195.mol2 | 4eki | 1 | -6.04 | CC[N@H+](C)C(C)C | 7 |
| 2c4f_ligand_2_30.mol2 | 2c4f | 1 | -5.89 | [NH2+](C(C)C)C(C)C | 7 |
| 4wvl_ligand_3_340.mol2 | 4wvl | 1 | -5.85 | C(C)(C)[NH2+]CC | 6 |
| 4wvl_ligand_4_1325.mol2 | 4wvl | 1 | -5.80 | CC[N@H+](C)C(C)C | 7 |
| 2fwz_ligand_2_0.mol2 | 2fwz | 1 | -5.47 | CC[NH2+]C(C)C | 6 |
| 3myg_ligand_3_25.mol2 | 3myg | 1 | -5.36 | C(C)[N@H+](C)C(C)C | 7 |
| 4bhf_ligand_2_1.mol2 | 4bhf | 0.857143 | -6.47 | [N+](C)(C)(C)C(C)C | 7 |
280 ,
29
