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

• ChemBase ID: 185674
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: [C@]12(C([C@@]3(CN(C2)CN(C1)C3)C)O)C
• Canonical SMILES: OC1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3
• InChI: InChI=1S/C10H18N2O/c1-9-3-11-5-10(2,8(9)13)6-12(4-9)7-11/h8,13H,3-7H2,1-2H3/t8?,9-,10+
• InChIKey: KOBIRHDGYNOJKV-PBINXNQUSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164241584
• PubChem CID: 929105

CALCULATED PROPERTIES

• Acid pKa: 14.169793
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8024514
• LogD (pH = 7.4): 0.02320858
• Log P: 0.05593663
• Molar Refractivity: 51.0864 cm^3
• Polarizability: 20.633398 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