(5s,7s)-2,2,5,7-tetramethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

• ChemBase ID: 185081
• Molecular Formular: C12H22N2O
• Molecular Mass: 210.31588
• Monoisotopic Mass: 210.17321333
• SMILES: [C@]12(C([C@@]3(CN(C(N(C1)C3)(C)C)C2)C)O)C
• Canonical SMILES: OC1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3(C)C
• InChI: InChI=1S/C12H22N2O/c1-10(2)13-5-11(3)6-14(10)8-12(4,7-13)9(11)15/h9,15H,5-8H2,1-4H3/t9?,11-,12+
• InChIKey: GRFWQLHEIVXNRW-CLYYMRHHSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164240991
• PubChem CID: 1359227

CALCULATED PROPERTIES

• Acid pKa: 14.169685
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8723055
• LogD (pH = 7.4): 0.4170789
• Log P: 0.53353226
• Molar Refractivity: 60.9505 cm^3
• Polarizability: 24.31797 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