(1S,8S)-1,8-dimethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ol

• ChemBase ID: 185784
• Molecular Formular: C11H20N2O
• Molecular Mass: 196.2893
• Monoisotopic Mass: 196.15756327
• SMILES: [C@]12(C([C@@]3(CN(C2)CCN(C1)C3)C)O)C
• Canonical SMILES: OC1[C@]2(C)CN3C[C@@]1(C)CN(C2)CC3
• InChI: InChI=1S/C11H20N2O/c1-10-5-12-3-4-13(6-10)8-11(2,7-12)9(10)14/h9,14H,3-8H2,1-2H3/t9?,10-,11+
• InChIKey: JNARJHDJLSPXGM-FGWVZKOKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,8S)-1,8-dimethyl-3,6-diazatricyclo[4.3.1.1^3,^8]undecan-9-ol
• IUPAC Traditional name: (1S,3S,8S)-1,8-dimethyl-3,6-diazatricyclo[4.3.1.1^3,^8]undecan-9-ol

Database IDs

• PubChem SID: 164241694
• PubChem CID: 929141

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.6607003
• Log P: -0.05416431
• Molar Refractivity: 56.2769 cm^3
• Polarizability: 22.475332 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 14.170053
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3052034

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds