1-[(1r,5r)-1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one

• ChemBase ID: 196493
• Molecular Formular: C15H26N2O2
• Molecular Mass: 266.37914
• Monoisotopic Mass: 266.19942808
• SMILES: N1(C(=O)CC)C[C@@]2(CN(C(=O)CC)C[C@](C1)(C2)C)C
• Canonical SMILES: CCC(=O)N1C[C@]2(C)CN(C[C@](C1)(C2)C)C(=O)CC
• InChI: InChI=1S/C15H26N2O2/c1-5-12(18)16-8-14(3)7-15(4,9-16)11-17(10-14)13(19)6-2/h5-11H2,1-4H3/t14-,15+
• InChIKey: DQCRHTDYSUGGMD-GASCZTMLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1r,5r)-1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one
• IUPAC Traditional name: 1-[(1R,5S)-1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one

Database IDs

• PubChem SID: 164252403
• PubChem CID: 653818

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0470897
• LogD (pH = 7.4): 1.0471241
• Log P: 1.0471246
• Molar Refractivity: 74.6806 cm^3
• Polarizability: 29.320707 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds