[3-(dimethylamino)propyl]({[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl})amine

• ChemBase ID: 181426
• Molecular Formular: C19H36N2
• Molecular Mass: 292.50254
• Monoisotopic Mass: 292.28784916
• SMILES: C1(=CCC(C(C1)C)CNCCCN(C)C)CCC=C(C)C
• Canonical SMILES: CN(CCCNCC1CC=C(CC1C)CCC=C(C)C)C
• InChI: InChI=1S/C19H36N2/c1-16(2)8-6-9-18-10-11-19(17(3)14-18)15-20-12-7-13-21(4)5/h8,10,17,19-20H,6-7,9,11-15H2,1-5H3
• InChIKey: RFROODWOQYPGPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(dimethylamino)propyl]({[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl})amine
• IUPAC Traditional name: [3-(dimethylamino)propyl]({[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl})amine

Database IDs

• PubChem SID: 164237336
• PubChem CID: 2855628

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9647715
• LogD (pH = 7.4): -0.015815077
• Log P: 3.828182
• Molar Refractivity: 97.0727 cm^3
• Polarizability: 37.66282 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds