dimethyl(3-{[(2E)-2-(2-methylpropylidene)cyclohexyl]amino}propyl)amine

• ChemBase ID: 183769
• Molecular Formular: C15H30N2
• Molecular Mass: 238.4121
• Monoisotopic Mass: 238.24089897
• SMILES: C\1(=C\C(C)C)/C(NCCCN(C)C)CCCC1
• Canonical SMILES: CN(CCCNC1CCCC/C/1=C\C(C)C)C
• InChI: InChI=1S/C15H30N2/c1-13(2)12-14-8-5-6-9-15(14)16-10-7-11-17(3)4/h12-13,15-16H,5-11H2,1-4H3/b14-12+
• InChIKey: BBKQHFSPDNWETH-WYMLVPIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(3-{[(2E)-2-(2-methylpropylidene)cyclohexyl]amino}propyl)amine
• IUPAC Traditional name: dimethyl(3-{[(2E)-2-(2-methylpropylidene)cyclohexyl]amino}propyl)amine

Database IDs

• PubChem SID: 164239679
• PubChem CID: 6281057

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8283598
• LogD (pH = 7.4): -0.5621874
• Log P: 2.8984997
• Molar Refractivity: 77.5873 cm^3
• Polarizability: 30.50606 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: 2 Isomers on double bond(1:1)
• Classification: Derivatives & analogs of Natural Compounds