N-[2,2-dimethyl-3-(morpholin-4-yl)propyl]-1,2,2,6,6-pentamethylpiperidin-4-amine

• ChemBase编号: 582199
• 分子式: C19H39N3O
• 平均质量: 325.53246
• 单一同位素质量: 325.30931288
• SMILES: N1(C(CC(CC1(C)C)NCC(CN1CCOCC1)(C)C)(C)C)C
• Canonical SMILES: CN1C(C)(C)CC(CC1(C)C)NCC(CN1CCOCC1)(C)C
• InChI: InChI=1S/C19H39N3O/c1-17(2,15-22-8-10-23-11-9-22)14-20-16-12-18(3,4)21(7)19(5,6)13-16/h16,20H,8-15H2,1-7H3
• InChIKey: SITJTLATCRHMGA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2,2-dimethyl-3-(morpholin-4-yl)propyl]-1,2,2,6,6-pentamethylpiperidin-4-amine
• IUPAC传统名: N-[2,2-dimethyl-3-(morpholin-4-yl)propyl]-1,2,2,6,6-pentamethylpiperidin-4-amine
• 别名: N-[2,2-dimethyl-3-(4-morpholinyl)propyl]-1,2,2,6,6-pentamethyl-4-piperidinamine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -4.8659306
• LogD (pH = 7.4): -2.2927034
• Log P: 2.06001
• 摩尔折射率: 98.9768 cm^3
• 极化性: 39.561546 Å^3
• 极化表面积: 27.74 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: 1
• Log P: 3.07
• LOG S: -3.19
• 极化表面积: 27.74 Å^2
• 可自由旋转的化学键: 5