Basic information
- CAS
104749-91-9- Standard SMILES
N#CCC[C@@H]1CCC[C@H]1Nc1ccccc1- InChIKey
SGBXNAWMDCJVBN-GXTWGEPZSA-N- Molecular formula
- C14H18N2
- Average molar mass
- 214.31 g/mol
- Monoisotopic mass
- 214.14699858
Names & identifiers
- Preferred name
- 3-[(1S,2R)-2-Anilinocyclopentyl]propanenitrile
- IUPAC
- 3-[(1S,2R)-2-anilinocyclopentyl]propanenitrile
Names & synonyms
DTXSID8012188923-[(1S,2R)-2-Anilinocyclopentyl]propanenitrileCyclopentanepropanenitrile, 2-(phenylamino)-, trans-104749-91-9
Database identifiers
- CAS
104749-91-9- PubChem CID
- 96020192
- DTXSID
DTXSID801218892
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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