(5s,7s)-2-cyclopentyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

• ChemBase ID: 185561
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: [C@]12(C(=O)[C@@]3(CN(C(N(C1)C3)C1CCCC1)C2)C)C
• Canonical SMILES: O=C1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3C1CCCC1
• InChI: InChI=1S/C15H24N2O/c1-14-7-16-9-15(2,13(14)18)10-17(8-14)12(16)11-5-3-4-6-11/h11-12H,3-10H2,1-2H3/t12?,14-,15+
• InChIKey: IPDHULXWTDFBAD-LQDVMPOASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5s,7s)-2-cyclopentyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-one
• IUPAC Traditional name: (1s,5R,7S)-2-cyclopentyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-one

Database IDs

• PubChem SID: 164241471
• PubChem CID: 699064

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8059764
• LogD (pH = 7.4): 2.4287999
• Log P: 2.7466323
• Molar Refractivity: 71.5972 cm^3
• Polarizability: 28.568222 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds