Basic information
- Standard SMILES
Cc1ccc(C2=CCNCC2)c(C2CC(C)(C)CC(C)(C)C2)c1- InChIKey
NHIFKNWBMKMPMP-UHFFFAOYSA-N- Molecular formula
- C22H33N
- Average molar mass
- 311.5 g/mol
- Monoisotopic mass
- 311.26130006
Names & identifiers
- Preferred name
- 4-[4-Methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-1,2,3,6-tetrahydropyridine
- IUPAC
- 4-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-1,2,3,6-tetrahydropyridine
Names & synonyms
SCHEMBL4851279NHIFKNWBMKMPMP-UHFFFAOYSA-N4-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-1,2,3,6-tetrahydropyridine
Database identifiers
- PubChem CID
- 23142137
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 429
Related reactions
4 records
Compound notes
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