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

• ChemBase ID: 184231
• Molecular Formular: C15H26N2O
• Molecular Mass: 250.37974
• Monoisotopic Mass: 250.20451346
• SMILES: [C@]12(C([C@@]3(CN(C4(N(C1)C3)CCCCC4)C2)C)O)C
• Canonical SMILES: OC1[C@]2(C)CN3C[C@@]1(C)CN(C2)C13CCCCC1
• InChI: InChI=1S/C15H26N2O/c1-13-8-16-10-14(2,12(13)18)11-17(9-13)15(16)6-4-3-5-7-15/h12,18H,3-11H2,1-2H3/t12?,13-,14+
• InChIKey: GIQUCSUGBSUOPY-AGUYFDCRSA-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'-ol
• IUPAC Traditional name: (5'S,7'R)-5',7'-dimethyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-ol

Database IDs

• PubChem SID: 164240141
• PubChem CID: 713570

CALCULATED PROPERTIES

• Acid pKa: 14.169684
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.20134789
• LogD (pH = 7.4): 1.4444747
• Log P: 1.7881212
• Molar Refractivity: 72.6869 cm^3
• Polarizability: 29.11622 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds