8-[(1-cyclopropylethyl)amino]-2,6-dimethyloctan-2-ol

• ChemBase ID: 697643
• Molecular Formular: C15H31NO
• Molecular Mass: 241.41274
• Monoisotopic Mass: 241.24056462
• SMILES: C1(CC1)C(NCCC(CCCC(O)(C)C)C)C
• Canonical SMILES: CC(CCNC(C1CC1)C)CCCC(O)(C)C
• InChI: InChI=1S/C15H31NO/c1-12(6-5-10-15(3,4)17)9-11-16-13(2)14-7-8-14/h12-14,16-17H,5-11H2,1-4H3
• InChIKey: ADFYMADYTXJRQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(1-cyclopropylethyl)amino]-2,6-dimethyloctan-2-ol
• IUPAC Traditional name: 8-[(1-cyclopropylethyl)amino]-2,6-dimethyloctan-2-ol
• Synonyms: 8-[(1-cyclopropylethyl)amino]-2,6-dimethyl-2-octanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.53077
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.029476987
• LogD (pH = 7.4): 0.16666164
• Log P: 3.209371
• Molar Refractivity: 74.2651 cm^3
• Polarizability: 29.796625 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.06
• LOG S: -2.56
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 9