dimethyl[2-methyl-2-(4,4,6-trimethyl-1,3-dioxan-2-yl)propyl]amine

• ChemBase编号: 182896
• 分子式: C13H27NO2
• 平均质量: 229.35898
• 单一同位素质量: 229.20417911
• SMILES: C1(C(CN(C)C)(C)C)OC(CC(O1)C)(C)C
• Canonical SMILES: CN(CC(C1OC(C)CC(O1)(C)C)(C)C)C
• InChI: InChI=1S/C13H27NO2/c1-10-8-13(4,5)16-11(15-10)12(2,3)9-14(6)7/h10-11H,8-9H2,1-7H3
• InChIKey: ISIJXVZVUKMGND-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl[2-methyl-2-(4,4,6-trimethyl-1,3-dioxan-2-yl)propyl]amine
• IUPAC传统名: dimethyl[2-methyl-2-(4,4,6-trimethyl-1,3-dioxan-2-yl)propyl]amine

登记号

• PubChem SID: 164238806
• PubChem CID: 2828560

理论计算性质

• Log P: 2.4558928
• 摩尔折射率: 66.8096 cm^3
• 极化性: 26.855288 Å^3
• 极化表面积: 21.7 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.846991
• LogD (pH = 7.4): 0.62081236

分子性质

产品相关信息

• 简要说明: Diastereomers
• 分类: Rare Derivatives of Natural Compounds