8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane
Basic information
- CAS
57269-37-1- Standard SMILES
CC(C)C(=O)N1CC2CCN(C)C1C2- InChIKey
LAIXLKYAMLKEKK-UHFFFAOYSA-N- Molecular formula
- C11H20N2O
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.15756327
Names & identifiers
- Preferred name
- 8-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane
- IUPAC
- 2-methyl-1-(2-methyl-2,7-diazabicyclo[3.2.1]octan-7-yl)propan-1-one
Names & synonyms
57269-37-1BRN 05140478-Isobutyryl-3-methyl-3,8-diazabicyclo(3.2.1)octane3,8-Diazabicyclo(3.2.1)octane, 8-isobutyryl-3-methyl-DTXSID709727652-Methyl-1-(2-methyl-2,7-diazabicyclo[3.2.1]octan-7-yl)propan-1-one
Database identifiers
- CAS
57269-37-1- PubChem CID
- 93609
- DTXSID
DTXSID70972765
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
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Compound notes
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