Basic information
- CAS
57653-28-8- Standard SMILES
CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2(C)C- InChIKey
CFUQBFQTFMOZBK-UHFFFAOYSA-N- Molecular formula
- C20H29NO
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.22491455
Names & identifiers
- Preferred name
- 1,13,13-Trimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
- IUPAC
- 1,13,13-trimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Names & synonyms
SCHEMBL2110199CHEMBL2106302NS00120669
Database identifiers
- CAS
57653-28-8- PubChem CID
- 216286
- ChEMBL
CHEMBL2106302- Nikkaji
- J14.547E
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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