3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine

• ChemBase ID: 800343
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: NCCCc1ccc2c(n1)NCCC2
• Canonical SMILES: NCCCc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C11H17N3/c12-7-1-4-10-6-5-9-3-2-8-13-11(9)14-10/h5-6H,1-4,7-8,12H2,(H,13,14)
• InChIKey: BWMYVZPZPGAOPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine
• IUPAC Traditional name: 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine
• Synonyms: 3-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl)-propylamine

Database IDs

• CAS Number: 206989-41-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5474362
• LogD (pH = 7.4): -1.4710867
• Log P: 1.0401804
• Molar Refractivity: 59.7246 cm^3
• Polarizability: 22.266088 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%