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

• ChemBase ID: 208173
• Molecular Formular: C12H22N2O
• Molecular Mass: 210.31588
• Monoisotopic Mass: 210.17321333
• SMILES: [C@]12(C([C@@]3(CN(C2)CN(C3)C1)CC)O)CC
• Canonical SMILES: CC[C@]12CN3CN(C1)C[C@](C2O)(C3)CC
• InChI: InChI=1S/C12H22N2O/c1-3-11-5-13-7-12(4-2,10(11)15)8-14(6-11)9-13/h10,15H,3-9H2,1-2H3/t10?,11-,12+
• InChIKey: CSIISFRMUCEFDK-YOGCLGLASA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164264083
• PubChem CID: 770266

CALCULATED PROPERTIES

• Acid pKa: 14.153769
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.14706232
• LogD (pH = 7.4): 0.8870373
• Log P: 0.94507396
• Molar Refractivity: 60.2884 cm^3
• Polarizability: 24.31797 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds