(5S,7R)-2-cyclopentyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

• ChemBase ID: 217859
• Molecular Formular: C15H26N2O
• Molecular Mass: 250.37974
• Monoisotopic Mass: 250.20451346
• SMILES: [C@]12([C@@H]([C@@]3(CN(C(N(C1)C3)C1CCCC1)C2)C)O)C
• Canonical SMILES: O[C@@H]1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3C1CCCC1
• InChI: InChI=1S/C15H26N2O/c1-14-7-16-9-15(2,13(14)18)10-17(8-14)12(16)11-5-3-4-6-11/h11-13,18H,3-10H2,1-2H3/t12?,13-,14-,15+
• InChIKey: ORHGFILRNAPJHY-JYFWYKGASA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164273769
• PubChem CID: 16407850

CALCULATED PROPERTIES

• Acid pKa: 14.169738
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.05869531
• LogD (pH = 7.4): 1.5371531
• Log P: 1.8270776
• Molar Refractivity: 72.2137 cm^3
• Polarizability: 29.11622 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds