5,8-dimethyl-3-propylquinolin-2-amine

• ChemBase ID: 805041
• Molecular Formular: C14H18N2
• Molecular Mass: 214.30612
• Monoisotopic Mass: 214.14699859
• SMILES: c1c(c2c(c(c1)C)cc(c(n2)N)CCC)C
• Canonical SMILES: CCCc1cc2c(C)ccc(c2nc1N)C
• InChI: InChI=1S/C14H18N2/c1-4-5-11-8-12-9(2)6-7-10(3)13(12)16-14(11)15/h6-8H,4-5H2,1-3H3,(H2,15,16)
• InChIKey: MLUXZADCANZPKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dimethyl-3-propylquinolin-2-amine
• IUPAC Traditional name: 5,8-dimethyl-3-propylquinolin-2-amine
• Synonyms: 2-AMINO-5,8-DIMETHYL-3-PROPYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0175653
• LogD (pH = 7.4): 4.2000246
• Log P: 4.3258333
• Molar Refractivity: 69.3188 cm^3
• Polarizability: 27.143476 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%