2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate | SBID = 2163 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 29.5 | ||
| Ertl TPSA/Å2: | 29.54 | ||
| Hydrophilicity (PubChem XLogP): | 5.5 | ||
| Hydrophilicity (Cheng XLogP3): | 5.53 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 254.7 | ||
| Sum Formula: | C19H35NO2 | ||
| M / g/mol: | 309.5 | ||
| Complexity: | 326.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate
- Preferred Abbreviation: dicyclomine
- IUPAC Name: 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate
- CAS:
- CID: 3042
- InChiKey: CURUTKGFNZGFSE-UHFFFAOYSA-N
- InChi: InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
- CanoSmiles: CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2
- IsoSmiles: CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2
