diethyl({2-[2-(pyridin-2-yl)-1H-imidazol-1-yl]ethyl})amine

• ChemBase ID: 846787
• Molecular Formular: C14H20N4
• Molecular Mass: 244.3354
• Monoisotopic Mass: 244.16879666
• SMILES: c1(n(ccn1)CCN(CC)CC)c1ncccc1
• Canonical SMILES: CCN(CCn1ccnc1c1ccccn1)CC
• InChI: InChI=1S/C14H20N4/c1-3-17(4-2)11-12-18-10-9-16-14(18)13-7-5-6-8-15-13/h5-10H,3-4,11-12H2,1-2H3
• InChIKey: NMPKLTHWWCHDBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl({2-[2-(pyridin-2-yl)-1H-imidazol-1-yl]ethyl})amine
• IUPAC Traditional name: diethyl({2-[2-(pyridin-2-yl)imidazol-1-yl]ethyl})amine
• Synonyms: N,N-diethyl-2-(2-pyridin-2-yl-1H-imidazol-1-yl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4221348
• LogD (pH = 7.4): -0.28418005
• Log P: 2.0036604
• Molar Refractivity: 83.9985 cm^3
• Polarizability: 29.03901 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.64
• LOG S: -1.38
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 6