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

• ChemBase ID: 185487
• Molecular Formular: C16H26N2O
• Molecular Mass: 262.39044
• Monoisotopic Mass: 262.20451346
• SMILES: [C@]12(C(=O)[C@@]3(CN(C(N(C1)C3)C1CCCCC1)C2)C)C
• Canonical SMILES: O=C1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3C1CCCCC1
• InChI: InChI=1S/C16H26N2O/c1-15-8-17-10-16(2,14(15)19)11-18(9-15)13(17)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3/t13?,15-,16+
• InChIKey: IXLCYBJAYUUCLN-VHRNVKJDSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164241397
• PubChem CID: 704055

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.24856
• LogD (pH = 7.4): 2.872792
• Log P: 3.191201
• Molar Refractivity: 76.1982 cm^3
• Polarizability: 30.411549 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