Basic information
- CAS
1196118-58-7- Standard SMILES
CCC1(O)C[C@H]2CC[C@@H](C1)N2c1ccc(C#N)c2ccccc12- InChIKey
MUZMLJBHFNWKSQ-NYTJIUQPSA-N- Molecular formula
- C20H22N2O
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.17321333
Names & identifiers
- Preferred name
- 4-[(3-endo)-3-Ethyl-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthalenecarbonitrile
- IUPAC
- 4-[(1R,5S)-3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
Names & synonyms
CHEMBL3084687DTXSID6011288314-[(3-endo)-3-Ethyl-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthalenecarbonitrile1196118-58-74-[(1R,3r,5S)-3-Ethyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
Database identifiers
- CAS
1196118-58-7- PubChem CID
- 44550840
- DTXSID
DTXSID601128831- ChEMBL
CHEMBL3084687
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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