Basic information
- CAS
91391-22-9- Standard SMILES
CC(C)CCNCCCCN- InChIKey
PWKFXMIDHMQCMX-UHFFFAOYSA-N- Molecular formula
- C9H22N2
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.17829871
Names & identifiers
- Preferred name
- 1,4-Butanediamine, N-isopentyl-
- IUPAC
- N'-(3-methylbutyl)butane-1,4-diamine
Names & synonyms
Isoamylputrescin1,4-BUTANEDIAMINE, N-ISOPENTYL-N-Isopentyl-1,4-butanediamineBRN 173745491391-22-9DTXSID802385414-04-00-01288 (Beilstein Handbook Reference)RefChem:220284DTXCID30161032SCHEMBL12335786N~1~-(3-Methylbutyl)butane-1,4-diamine
Database identifiers
- CAS
91391-22-9- PubChem CID
- 56229
- DTXSID
DTXSID80238541- Nikkaji
- J802.205D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 72
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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