Adamantan-1-yl-trimethyl-ammonium | SBID = 572 | Compound |
Structure
Molecular Properties
| Interactions: | 11 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 154.5 | ||
| Sum Formula: | C13H24N+ | ||
| M / g/mol: | 194.34 | ||
| Complexity: | 207.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: cation, typical guest, charged
- Name: Adamantan-1-yl-trimethyl-ammonium
- Preferred Abbreviation: 1-Adamantyl(trimethyl)ammonium
- IUPAC Name: 1-adamantyl(trimethyl)azanium
- CAS:
- CID: 3010127
- InChiKey: KKXBPUAYFJQMLN-UHFFFAOYSA-N
- InChi: InChI=1S/C13H24N/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,4-9H2,1-3H3/q+1
- CanoSmiles: C[N+](C)(C)C12CC3CC(C1)CC(C3)C2
- IsoSmiles: C[N+](C)(C)C12CC3CC(C1)CC(C3)C2
