6-(1,2,3,4-tetrahydroquinolin-1-yl)pyridin-3-amine

• ChemBase ID: 48338
• Molecular Formular: C14H15N3
• Molecular Mass: 225.289
• Monoisotopic Mass: 225.1265975
• SMILES: N1(c2ncc(N)cc2)c2c(CCC1)cccc2
• Canonical SMILES: Nc1ccc(nc1)N1CCCc2c1cccc2
• InChI: InChI=1S/C14H15N3/c15-12-7-8-14(16-10-12)17-9-3-5-11-4-1-2-6-13(11)17/h1-2,4,6-8,10H,3,5,9,15H2
• InChIKey: QPGPWDYYRQUBJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(1,2,3,4-tetrahydroquinolin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 6-(3,4-dihydro-2H-quinolin-1-yl)pyridin-3-amine
• Synonyms: 6-[3,4-Dihydro-1(2H)-quinolinyl]-3-pyridinamine

Database IDs

• MDL Number: MFCD08700224
• PubChem SID: 162053101
• PubChem CID: 16782003

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3233376
• LogD (pH = 7.4): 2.6622849
• Log P: 2.669164
• Molar Refractivity: 70.2085 cm^3
• Polarizability: 26.030174 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false