N-Cyclopentyl-1,4-butanediamine
Basic information
- CAS
90853-11-5- Standard SMILES
NCCCCNC1CCCC1- InChIKey
DBOGQEAEUIUOBK-UHFFFAOYSA-N- Molecular formula
- C9H20N2
- Average molar mass
- 156.27 g/mol
- Monoisotopic mass
- 156.16264865
Names & identifiers
- Preferred name
- N-Cyclopentyl-1,4-butanediamine
- IUPAC
- N'-cyclopentylbutane-1,4-diamine
Names & synonyms
N-CYCLOPENTYL-1,4-BUTANEDIAMINE90853-11-5SCHEMBL26043680DTXSID40238305N~1~-Cyclopentylbutane-1,4-diamine
Database identifiers
- CAS
90853-11-5- PubChem CID
- 56133
- DTXSID
DTXSID40238305- Nikkaji
- J1.598.096F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 87.6
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Compound notes
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