CID 45096806
Basic information
- CAS
781587-30-2- Standard SMILES
CC1C2CN(Cc3ccccc3)[C@H]1CN2- InChIKey
JXOUKOZMNJKGRI-GDKBPFBDSA-N- Molecular formula
- C13H18N2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.14699858
Names & identifiers
- Preferred name
- CID 45096806
- IUPAC
- (1R)-2-benzyl-7-methyl-2,5-diazabicyclo[2.2.1]heptane
- English name
- 2,5-Diazabicyclo[2.2.1]heptane,7-methyl-2-(phenylmethyl)-,(1R-syn)-(9CI)
- Molecular formula
- C13H18N2
- Molecular weight
- 0
Names & synonyms
2,5-Diazabicyclo[2.2.1]heptane,7-methyl-2-(phenylmethyl)-,(1R-syn)-(9CI)
Database identifiers
- CAS
781587-30-2- PubChem CID
- 45096806
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
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