dimethyl({2-methyl-2-[(10R)-8-oxatricyclo[8.4.0.02,7]tetradec-1(14)-en-9-yl]propyl})amine

• ChemBase编号: 185461
• 分子式: C19H33NO
• 平均质量: 291.47142
• 单一同位素质量: 291.25621468
• SMILES: C12=CCCC[C@H]1C(OC1C2CCCC1)C(CN(C)C)(C)C
• Canonical SMILES: CN(CC(C1OC2CCCCC2C2=CCCC[C@@H]12)(C)C)C
• InChI: InChI=1S/C19H33NO/c1-19(2,13-20(3)4)18-16-11-6-5-9-14(16)15-10-7-8-12-17(15)21-18/h9,15-18H,5-8,10-13H2,1-4H3/t15?,16-,17?,18?/m1/s1
• InChIKey: HCPHZQAJVVJZLU-JYJOREJMSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl({2-methyl-2-[(10R)-8-oxatricyclo[8.4.0.0^2,^7]tetradec-1(14)-en-9-yl]propyl})amine
• IUPAC传统名: dimethyl({2-methyl-2-[(10R)-8-oxatricyclo[8.4.0.0^2,^7]tetradec-1(14)-en-9-yl]propyl})amine

登记号

• PubChem SID: 164241371
• PubChem CID: 16396300

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.65600765
• LogD (pH = 7.4): 1.939411
• Log P: 4.041699
• 摩尔折射率: 89.9517 cm^3
• 极化性: 35.54369 Å^3
• 极化表面积: 12.47 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

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