(6-methylhept-5-en-2-yl)[3-(pyridin-2-yl)propyl]amine

• ChemBase ID: 787557
• Molecular Formular: C16H26N2
• Molecular Mass: 246.39104
• Monoisotopic Mass: 246.20959884
• SMILES: n1c(CCCNC(CCC=C(C)C)C)cccc1
• Canonical SMILES: CC(CCC=C(C)C)NCCCc1ccccn1
• InChI: InChI=1S/C16H26N2/c1-14(2)8-6-9-15(3)17-13-7-11-16-10-4-5-12-18-16/h4-5,8,10,12,15,17H,6-7,9,11,13H2,1-3H3
• InChIKey: ZLPRKPQZCJMINH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methylhept-5-en-2-yl)[3-(pyridin-2-yl)propyl]amine
• IUPAC Traditional name: (6-methylhept-5-en-2-yl)[3-(pyridin-2-yl)propyl]amine
• Synonyms: (1,5-dimethyl-4-hexen-1-yl)[3-(2-pyridinyl)propyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.18869719
• LogD (pH = 7.4): 0.56118923
• Log P: 3.4321191
• Molar Refractivity: 78.9743 cm^3
• Polarizability: 30.96226 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.33
• LOG S: -1.53
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 8