Pentane-1,5-diamine | SBID = 582 | Compound |
Structure
Molecular Properties
| Interactions: | 14 | ||
| PubChem TPSA/Å2: | 52.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 87.9 | ||
| Sum Formula: | C5H14N2 | ||
| M / g/mol: | 102.18 | ||
| Complexity: | 25.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: Pentane-1,5-diamine
- Preferred Abbreviation: Cadaverine
- IUPAC Name: pentane-1,5-diamine
- CAS: 462-94-2
- CID: 273
- InChiKey: VHRGRCVQAFMJIZ-UHFFFAOYSA-N
- InChi: InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
- CanoSmiles: C(CCN)CCN
- IsoSmiles: C(CCN)CCN
