Basic information
- CAS
5342-94-9- Standard SMILES
CCCC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C- InChIKey
ZRXPNVBIQMTHFS-UHIISALHSA-N- Molecular formula
- C14H25NO
- Average molar mass
- 223.35 g/mol
- Monoisotopic mass
- 223.19361442
Names & identifiers
- Preferred name
- N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
- IUPAC
- N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
Names & synonyms
5342-94-9NSC3680DTXSID20968092NSC-3680N-(1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl)butanimidic acidN-[(1S,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl]butanimidic acid
Database identifiers
- CAS
5342-94-9- PubChem CID
- 220660
- DTXSID
DTXSID20968092
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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