D5+ | SBID = 2492 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 3.24 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 1.66 | ||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C11H23N2+ | ||
| M / g/mol: | 183.31372 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: D5+
- Preferred Abbreviation: 1-pentyl-1,4-diazabicyclo[2.2.2]octan-1-ium
- IUPAC Name:
- CAS:
- CID: -1084
- InChiKey: BOAAEKGASSFCBE-UHFFFAOYSA-N
- InChi: InChI=1S/C11H23N2/c1-2-3-4-8-13-9-5-12(6-10-13)7-11-13/h2-11H2,1H3/q+1
- CanoSmiles: CCCCC[N+]12CCN(CC1)CC2
- IsoSmiles: CCCCC[N+]12CCN(CC2)CC1
