Common name
2-[isopropyl(dimethyl)-λ4-azanyl]propane
IUPAC name
2-[isopropyl(dimethyl)-λ4-azanyl]propane
SMILES
C[N](C(C)C)(C(C)C)C
Common name
2-[isopropyl(dimethyl)-λ4-azanyl]propane
IUPAC name
2-[isopropyl(dimethyl)-λ4-azanyl]propane
SMILES
C[N](C(C)C)(C(C)C)C
INCHI
InChI=1S/C8H20N/c1-7(2)9(5,6)8(3)4/h7-8H,1-6H3
FORMULA
C8H20N
Common name
2-[isopropyl(dimethyl)-λ4-azanyl]propane
IUPAC name
2-[isopropyl(dimethyl)-λ4-azanyl]propane
Molecular weight
130.251
clogP
-1.567
clogS
-2.318
Frequency
0.0007
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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. |
| 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. |
2 ,
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 ,
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