Basic information
- CAS
63992-05-2- Standard SMILES
CCCCN1CC2CCC(C1)N2C(=O)CC- InChIKey
AUWINJMOPSMDNR-UHFFFAOYSA-N- Molecular formula
- C13H24N2O
- Average molar mass
- 224.34 g/mol
- Monoisotopic mass
- 224.18886339
Names & identifiers
- Preferred name
- 3-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane
- IUPAC
- 1-(3-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one
- English name
- 3-Butyl-8-propionyl-3,8-diazabicyclo[3.2.1]octane
- Molecular formula
- C13H24N2O
- Molecular weight
- 224.34
Names & synonyms
63992-05-23-Butyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane3-Butyl-8-propionyl-3,8-diazabicyclo[3.2.1]octaneBRN 06109171-(3-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-BUTYL-8-PROPIONYL-DTXSID90981859DB-3152851-Propanone, 1-(3-butyl-3,8-diazabicyclo[3.2.1]oct-8-yl)-
Database identifiers
- CAS
63992-05-2- PubChem CID
- 46301
- DTXSID
DTXSID90981859- Nikkaji
- J68.402C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 105 °C · 105 °C(Press: 0.2 Torr)
- Density
- 1.004 · 1.004±0.06 g/cm3(Predicted)
- pka
- 8.96 · 8.96±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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