1,7-Diaminoheptane | SBID = 583 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 52.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.3 | ||
| 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: | 114.2 | ||
| Sum Formula: | C7H18N2 | ||
| M / g/mol: | 130.23 | ||
| Complexity: | 40.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aliphatic
- Name: 1,7-Diaminoheptane
- Preferred Abbreviation: 1,7-Diaminoheptane
- IUPAC Name: heptane-1,7-diamine
- CAS: 646-19-5
- CID: 69533
- InChiKey: PWSKHLMYTZNYKO-UHFFFAOYSA-N
- InChi: InChI=1S/C7H18N2/c8-6-4-2-1-3-5-7-9/h1-9H2
- CanoSmiles: C(CCCN)CCCN
- IsoSmiles: C(CCCN)CCCN
