Basic information
- CAS
89647-79-0- Standard SMILES
CC(=O)N1CCCC2C(CC3CCC(=O)C4(CC5CC(C)CC6C5CC4CN6C)N3)CC(C)CC21- InChIKey
DOAGKNAZGHOTJU-UHFFFAOYSA-N- Molecular formula
- C30H49N3O2
- Average molar mass
- 483.7 g/mol
- Monoisotopic mass
- 483.38247781
Overview
6'-[(1-acetyl-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)methyl]-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]-3'-one has been reported in Huperzia lucidula with data available.
Names & identifiers
- Preferred name
- 6'-[(1-acetyl-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)methyl]-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]-3'-one
- IUPAC
- 6'-[(1-acetyl-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)methyl]-3,6-dimethylspiro[3-azatricyclo[6.2.2.04,9]dodecane-11,2'-piperidine]-3'-one
Database identifiers
- CAS
89647-79-0- PubChem CID
- 3530561
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 845
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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