octan-2-aminium | SBID = 1732 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C8H20N+ | ||
| M / g/mol: | 130.2511 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: cation, charged
- Name: octan-2-aminium
- Preferred Abbreviation: octan-2-aminium
- IUPAC Name:
- CAS:
- CID: -689
- InChiKey: HBXNJMZWGSCKPW-UHFFFAOYSA-O
- InChi: InChI=1S/C8H19N/c1-3-4-5-6-7-8(2)9/h8H,3-7,9H2,1-2H3/p+1
- CanoSmiles: CCCCCCC([NH3+])C
- IsoSmiles: [NH3+]C(C)CCCCCC
