1,5-Diethyl-3,7-dipentanoyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Basic information
- CAS
445262-05-5- Standard SMILES
CCCCC(=O)N1CC2(CC)CN(C(=O)CCCC)CC(CC)(C1)C2=O- InChIKey
CFWAAIZGVGUQQI-UHFFFAOYSA-N- Molecular formula
- C21H36N2O3
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.27259301
Names & identifiers
- Preferred name
- 1,5-Diethyl-3,7-dipentanoyl-3,7-diazabicyclo[3.3.1]nonan-9-one
- IUPAC
- 1,5-diethyl-3,7-di(pentanoyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
- English name
- 1,5-diethyl-3,7-dipentanoyl-3,7-diazabicyclo[3.3.1]nonan-9-one
- Molecular formula
- C21H36N2O3
- Molecular weight
- 364.52
Names & synonyms
1,5-diethyl-3,7-dipentanoyl-3,7-diazabicyclo[3.3.1]nonan-9-one1,5-diethyl-3,7-di(pentanoyl)-3,7-diazabicyclo[3.3.1]nonan-9-oneAL-281/408381163,7-Diazabicyclo[3.3.1]nonan-9-one, 1,5-diethyl-3,7-bis(1-oxopentyl)-
Database identifiers
- CAS
445262-05-5- PubChem CID
- 1772305
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 485
Physicochemical properties
- Boiling point
- 448.1 · 448.1±45.0 °C(Predicted)
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
- pka
- -0.42 · -0.42±0.60(Predicted)
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Compound notes
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