(2-methylpropyl)[(4Z)-2,2,5,9-tetramethyldeca-4,8-dien-1-yl]amine

• ChemBase编号: 183784
• 分子式: C18H35N
• 平均质量: 265.4772
• 单一同位素质量: 265.27695013
• SMILES: C(=C(\CCC=C(C)C)/C)\CC(CNCC(C)C)(C)C
• Canonical SMILES: CC(CNCC(C/C=C(\CCC=C(C)C)/C)(C)C)C
• InChI: InChI=1S/C18H35N/c1-15(2)9-8-10-17(5)11-12-18(6,7)14-19-13-16(3)4/h9,11,16,19H,8,10,12-14H2,1-7H3/b17-11-
• InChIKey: DKMYBUGWVUTDML-BOPFTXTBSA-N

名称和登记号

名称

• IUPAC标准名: (2-methylpropyl)[(4Z)-2,2,5,9-tetramethyldeca-4,8-dien-1-yl]amine
• IUPAC传统名: (2-methylpropyl)[(4Z)-2,2,5,9-tetramethyldeca-4,8-dien-1-yl]amine

登记号

• PubChem SID: 164239694
• PubChem CID: 1771083

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.3091238
• LogD (pH = 7.4): 2.473552
• Log P: 5.5485888
• 摩尔折射率: 89.5841 cm^3
• 极化性: 35.047466 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds