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

• ChemBase ID: 219267
• Molecular Formular: C14H26N2O
• Molecular Mass: 238.36904
• Monoisotopic Mass: 238.20451346
• SMILES: [C@]12(C([C@@]3(CN(C2)CN(C3)C1)C(C)C)O)C(C)C
• Canonical SMILES: CC([C@]12CN3CN(C1)C[C@](C2O)(C3)C(C)C)C
• InChI: InChI=1S/C14H26N2O/c1-10(2)13-5-15-7-14(11(3)4,12(13)17)8-16(6-13)9-15/h10-12,17H,5-9H2,1-4H3/t12?,13-,14+
• InChIKey: OCYUIYQKCGOKFX-AGUYFDCRSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275177
• PubChem CID: 16409180

CALCULATED PROPERTIES

• Acid pKa: 14.137717
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.13138516
• LogD (pH = 7.4): 1.4070998
• Log P: 1.5191121
• Molar Refractivity: 69.3856 cm^3
• Polarizability: 28.004848 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