1-(2-Cyanocyclohexyl)-2-(isoquinolin-1-ylmethyl)cyclohexane-1-carbonitrile
Basic information
- CAS
66948-21-8- Standard SMILES
N#CC1CCCCC1C1(C#N)CCCCC1Cc1nccc2ccccc12- InChIKey
XJWAPHCGDAHZIG-UHFFFAOYSA-N- Molecular formula
- C24H27N3
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.22049787
Names & identifiers
- Preferred name
- 1-(2-Cyanocyclohexyl)-2-(isoquinolin-1-ylmethyl)cyclohexane-1-carbonitrile
- IUPAC
- 1-(2-cyanocyclohexyl)-2-(isoquinolin-1-ylmethyl)cyclohexane-1-carbonitrile
Names & synonyms
66948-21-81-(2-cyanocyclohexyl)-2-(isoquinolin-1-ylmethyl)cyclohexane-1-carbonitrileNSC278008DTXSID40313868NSC-2780082-[(Isoquinolin-1-yl)methyl][1,1'-bi(cyclohexane)]-1,2'-dicarbonitrile
Database identifiers
- CAS
66948-21-8- PubChem CID
- 322104
- DTXSID
DTXSID40313868
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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