(1s,5s)-1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

• ChemBase ID: 181096
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: [C@]12(C([C@@](CN(C1)C)(CN(C2)C)C)O)C
• Canonical SMILES: OC1[C@]2(C)CN(C[C@@]1(C)CN(C2)C)C
• InChI: InChI=1S/C11H22N2O/c1-10-5-12(3)7-11(2,9(10)14)8-13(4)6-10/h9,14H,5-8H2,1-4H3/t9?,10-,11+
• InChIKey: LWCZGAZGRBEYRS-FGWVZKOKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1s,5s)-1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
• IUPAC Traditional name: (1s,5s)-1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

Database IDs

• PubChem SID: 164237006
• PubChem CID: 755195

CALCULATED PROPERTIES

• Acid pKa: 14.170127
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.490197
• LogD (pH = 7.4): -1.8674726
• Log P: 0.11736063
• Molar Refractivity: 58.2459 cm^3
• Polarizability: 23.206133 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