N,N-dimethyl-5-{[3-(morpholin-4-yl)azetidin-1-yl]methyl}pyridin-2-amine

• ChemBase编号: 565617
• 分子式: C15H24N4O
• 平均质量: 276.37726
• 单一同位素质量: 276.19501141
• SMILES: N1(CC(N2CCOCC2)C1)Cc1cnc(N(C)C)cc1
• Canonical SMILES: CN(c1ccc(cn1)CN1CC(C1)N1CCOCC1)C
• InChI: InChI=1S/C15H24N4O/c1-17(2)15-4-3-13(9-16-15)10-18-11-14(12-18)19-5-7-20-8-6-19/h3-4,9,14H,5-8,10-12H2,1-2H3
• InChIKey: PPHFLNBSJBNSFP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-5-{[3-(morpholin-4-yl)azetidin-1-yl]methyl}pyridin-2-amine
• IUPAC传统名: N,N-dimethyl-5-{[3-(morpholin-4-yl)azetidin-1-yl]methyl}pyridin-2-amine
• 别名: N,N-dimethyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]pyridin-2-amine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -0.5946215
• LogD (pH = 7.4): 0.9011141
• Log P: 1.0878577
• 摩尔折射率: 81.9807 cm^3
• 极化性: 31.267933 Å^3
• 极化表面积: 31.84 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: -0.61
• LOG S: 0.31
• 极化表面积: 31.84 Å^2
• 可自由旋转的化学键: 4