Basic information
- Standard SMILES
CC1(C)CC(c2ccccc2C2=CCNCC2)CC(C)(C)C1- InChIKey
YAKKKQJVKLZWGP-UHFFFAOYSA-N- Molecular formula
- C21H31N
- Average molar mass
- 297.5 g/mol
Names & identifiers
- Preferred name
- 4-[2-(3,3,5,5-Tetramethylcyclohexyl)phenyl]-1,2,3,6-tetrahydropyridine
- IUPAC
- 4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-1,2,3,6-tetrahydropyridine
Names & synonyms
SCHEMBL4848122YAKKKQJVKLZWGP-UHFFFAOYSA-N4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-1,2,3,6-tetrahydropyridine
Database identifiers
- PubChem CID
- 23142103
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 402
Related reactions
4 records
Compound notes
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