Basic information
- Standard SMILES
CCCCCCN(CCC#N)CCC#N- InChIKey
BJWVIDWUQRPYFC-UHFFFAOYSA-N- Molecular formula
- C12H21N3
- Average molar mass
- 207.32 g/mol
Names & identifiers
- Preferred name
- n,n-Bis(2-cyanoethyl)hexylamine
- IUPAC
- 3-[2-cyanoethyl(hexyl)amino]propanenitrile
Names & synonyms
SCHEMBL4457197n,n-bis(2-cyanoethyl)hexylamineBJWVIDWUQRPYFC-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 16733110
- Nikkaji
- J2.484.824H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Related reactions
2 records
Compound notes
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