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

• ChemBase ID: 188961
• Molecular Formular: C17H28N2O
• Molecular Mass: 276.41702
• Monoisotopic Mass: 276.22016353
• SMILES: [C@]12(C(=O)[C@@]3(CN(C(N(C1)C3)(C1CCCCC1)C)C2)C)C
• Canonical SMILES: O=C1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3(C)C1CCCCC1
• InChI: InChI=1S/C17H28N2O/c1-15-9-18-11-16(2,14(15)20)12-19(10-15)17(18,3)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3/t15-,16+,17?
• InChIKey: CAKPYCASWKAABY-SJPCQFCGSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244871
• PubChem CID: 702974

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2048801
• LogD (pH = 7.4): 2.9471347
• Log P: 3.4392636
• Molar Refractivity: 81.22 cm^3
• Polarizability: 32.255264 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