N1-cycloheptyl-N2-(4-methylpyridin-2-yl)ethane-1,2-diamine

• ChemBase ID: 786580
• Molecular Formular: C15H25N3
• Molecular Mass: 247.3791
• Monoisotopic Mass: 247.20484782
• SMILES: n1c(NCCNC2CCCCCC2)cc(cc1)C
• Canonical SMILES: Cc1ccnc(c1)NCCNC1CCCCCC1
• InChI: InChI=1S/C15H25N3/c1-13-8-9-17-15(12-13)18-11-10-16-14-6-4-2-3-5-7-14/h8-9,12,14,16H,2-7,10-11H2,1H3,(H,17,18)
• InChIKey: ACPZRVUDEFMNJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1-cycloheptyl-N2-(4-methylpyridin-2-yl)ethane-1,2-diamine
• IUPAC Traditional name: N1-cycloheptyl-N2-(4-methylpyridin-2-yl)ethane-1,2-diamine
• Synonyms: N-cycloheptyl-N'-(4-methylpyridin-2-yl)ethane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.38070077
• LogD (pH = 7.4): 0.6755786
• Log P: 3.2156663
• Molar Refractivity: 77.7892 cm^3
• Polarizability: 29.725695 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.82
• LOG S: -3.26
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 5