{imidazo[1,2-a]pyridin-3-ylmethyl}(methyl){[5-(oxan-2-yl)furan-2-yl]methyl}amine

• ChemBase编号: 719669
• 分子式: C19H23N3O2
• 平均质量: 325.40482
• 单一同位素质量: 325.17902699
• SMILES: n12c(cnc1cccc2)CN(Cc1oc(cc1)C1OCCCC1)C
• Canonical SMILES: CN(Cc1cnc2n1cccc2)Cc1ccc(o1)C1CCCCO1
• InChI: InChI=1S/C19H23N3O2/c1-21(13-15-12-20-19-7-2-4-10-22(15)19)14-16-8-9-18(24-16)17-6-3-5-11-23-17/h2,4,7-10,12,17H,3,5-6,11,13-14H2,1H3
• InChIKey: SWMLGDPIHDCMKC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {imidazo[1,2-a]pyridin-3-ylmethyl}(methyl){[5-(oxan-2-yl)furan-2-yl]methyl}amine
• IUPAC传统名: {imidazo[1,2-a]pyridin-3-ylmethyl}(methyl){[5-(oxan-2-yl)furan-2-yl]methyl}amine
• 别名: (imidazo[1,2-a]pyridin-3-ylmethyl)methyl{[5-(tetrahydro-2H-pyran-2-yl)-2-furyl]methyl}amine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.27452782
• LogD (pH = 7.4): 1.8728448
• Log P: 2.1115782
• 摩尔折射率: 94.6169 cm^3
• 极化性: 35.953705 Å^3
• 极化表面积: 42.91 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.67
• LOG S: -2.85
• 极化表面积: 42.91 Å^2
• 可自由旋转的化学键: 5