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

• ChemBase ID: 181754
• Molecular Formular: C14H26N2O
• Molecular Mass: 238.36904
• Monoisotopic Mass: 238.20451346
• SMILES: [C@]12(C([C@@]3(CN(C(N(C1)C3)(CC)CC)C2)C)O)C
• Canonical SMILES: CCC1(CC)N2C[C@@]3(CN1C[C@](C2)(C3O)C)C
• InChI: InChI=1S/C14H26N2O/c1-5-14(6-2)15-7-12(3)8-16(14)10-13(4,9-15)11(12)17/h11,17H,5-10H2,1-4H3/t11?,12-,13+
• InChIKey: LZYMLWWBBOWCRX-YHWZYXNKSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164237664
• PubChem CID: 927772

CALCULATED PROPERTIES

• Acid pKa: 14.169684
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.157937
• LogD (pH = 7.4): 1.4764055
• Log P: 1.8072785
• Molar Refractivity: 69.8881 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: Rare Derivatives of Natural Compounds