dimethyl(2-{[(1-methyl-1H-imidazol-2-yl)methyl][(2-methylphenyl)methyl]amino}ethyl)amine

• ChemBase ID: 550870
• Molecular Formular: C17H26N4
• Molecular Mass: 286.41514
• Monoisotopic Mass: 286.21574685
• SMILES: c1(n(ccn1)C)CN(Cc1c(C)cccc1)CCN(C)C
• Canonical SMILES: CN(CCN(Cc1nccn1C)Cc1ccccc1C)C
• InChI: InChI=1S/C17H26N4/c1-15-7-5-6-8-16(15)13-21(12-11-19(2)3)14-17-18-9-10-20(17)4/h5-10H,11-14H2,1-4H3
• InChIKey: GSJPKSOYODZLFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-{[(1-methyl-1H-imidazol-2-yl)methyl][(2-methylphenyl)methyl]amino}ethyl)amine
• IUPAC Traditional name: dimethyl(2-{[(1-methylimidazol-2-yl)methyl][(2-methylphenyl)methyl]amino}ethyl)amine
• Synonyms: N,N-dimethyl-N'-(2-methylbenzyl)-N'-[(1-methyl-1H-imidazol-2-yl)methyl]ethane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.456781
• LogD (pH = 7.4): 0.6162492
• Log P: 2.349554
• Molar Refractivity: 89.4521 cm^3
• Polarizability: 34.393284 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.44
• LOG S: -2.37
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 7