Basic information
- CAS
50616-05-2- Standard SMILES
CCCC[C@@H](CC)CNC[C@@H](CC)CCCC- InChIKey
SAIKULLUBZKPDA-IYBDPMFKSA-N- Molecular formula
- C16H35N
- Average molar mass
- 241.46 g/mol
- Monoisotopic mass
- 241.27695012
Names & identifiers
- Preferred name
- (2S)-2-ethyl-N-[(2R)-2-ethylhexyl]hexan-1-amine
- IUPAC
- (2S)-2-ethyl-N-[(2R)-2-ethylhexyl]hexan-1-amine
Names & synonyms
SAIKULLUBZKPDA-IYBDPMFKSA-N
Database identifiers
- CAS
50616-05-2- PubChem CID
- 5748639
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 128
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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