4-{2-[(2-ethyl-6-methylpyridin-3-yl)oxy]ethyl}morpholine

• ChemBase编号: 391429
• 分子式: C14H22N2O2
• 平均质量: 250.33668
• 单一同位素质量: 250.16812795
• SMILES: n1c(c(ccc1C)OCCN1CCOCC1)CC
• Canonical SMILES: CCc1nc(C)ccc1OCCN1CCOCC1
• InChI: InChI=1S/C14H22N2O2/c1-3-13-14(5-4-12(2)15-13)18-11-8-16-6-9-17-10-7-16/h4-5H,3,6-11H2,1-2H3
• InChIKey: WUIMOKSOWDZXLC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{2-[(2-ethyl-6-methylpyridin-3-yl)oxy]ethyl}morpholine
• IUPAC传统名: 4-{2-[(2-ethyl-6-methylpyridin-3-yl)oxy]ethyl}morpholine
• 别名: 4-{2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl}morpholine

理论计算性质

JChem

• 摩尔折射率: 71.2678 cm^3
• 极化性: 28.016228 Å^3
• 极化表面积: 34.59 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.18875198
• LogD (pH = 7.4): 1.3039298
• Log P: 1.3613224

Provided by Chembridge

• 极化表面积: 34.59 Å^2
• 可自由旋转的化学键: 4
• 质子受体: 4
• 质子供体: 0
• Log P: 2.71
• LOG S: -1.29