(5's,7's)-5',7'-dimethyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.13,7]decane]-6'-one

• ChemBase ID: 119012
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: [C@]12(C(=O)[C@@]3(CN(C4(N(C1)C3)CCCCC4)C2)C)C
• Canonical SMILES: O=C1[C@]2(C)CN3C[C@@]1(C)CN(C2)C13CCCCC1
• InChI: InChI=1S/C15H24N2O/c1-13-8-16-10-14(2,12(13)18)11-17(9-13)15(16)6-4-3-5-7-15/h3-11H2,1-2H3/t13-,14+
• InChIKey: CMGPXQNXFMPPFA-OKILXGFUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5's,7's)-5',7'-dimethyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-one
• IUPAC Traditional name: (5's,7's)-5',7'-dimethyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-one
• Synonyms: (5s,7s)-5,7-dimethyl-1,3-diazaspiro[adamantane-2,1'-cyclohexan]-6-one

Database IDs

• PubChem SID: 162107376
• PubChem CID: 689311

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.66011304
• LogD (pH = 7.4): 2.3310642
• Log P: 2.707676
• Molar Refractivity: 72.0704 cm^3
• Polarizability: 28.568222 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true