N,N'-Dimethylphlegmarine
Basic information
- CAS
66834-90-0- Standard SMILES
C[C@H]1C[C@H](CC2CCCCN2C)[C@@H]2CCCN(C)[C@H]2C1- InChIKey
VUYBAOJMKXWHTC-MPBYHJMHSA-N- Molecular formula
- C18H34N2
- Average molar mass
- 278.5 g/mol
- Monoisotopic mass
- 278.27219909
Names & identifiers
- Preferred name
- N,N'-Dimethylphlegmarine
- IUPAC
- (4aS,5R,7S,8aS)-1,7-dimethyl-5-[(1-methylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
Names & synonyms
N,N'-Dimethylphlegmarine66834-90-0RefChem:358497DTXSID709854311,7-Dimethyl-5-[(1-methylpiperidin-2-yl)methyl]decahydroquinoline(4aS,5R,7S,8aS)-1,7-dimethyl-5-[(1-methylpiperidin-2-yl)methyl]decahydroquinoline
Database identifiers
- CAS
66834-90-0- PubChem CID
- 181850
- DTXSID
DTXSID70985431
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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