Basic information
- Standard SMILES
CC1(C)C2CC[C@]1(C)CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2- InChIKey
AHGSFJQMMZGYCY-FRSMUXAASA-N- Molecular formula
- C21H33NO
- Average molar mass
- 315.5 g/mol
Names & identifiers
- Preferred name
- (IS)-3-(1-adamantyl carbonyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
- IUPAC
- 1-adamantyl-[(1S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]methanone
Names & synonyms
AHGSFJQMMZGYCY-FRSMUXAASA-N(IS)-3-(1-adamantyl carbonyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
Database identifiers
- PubChem CID
- 53642902
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 509
Related reactions
1 records
Compound notes
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