5,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine

• ChemBase ID: 114017
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c12nc(cc(c1CCCN2)C)C
• Canonical SMILES: Cc1cc(C)c2c(n1)NCCC2
• InChI: InChI=1S/C10H14N2/c1-7-6-8(2)12-10-9(7)4-3-5-11-10/h6H,3-5H2,1-2H3,(H,11,12)
• InChIKey: DXIRHDQUVVQLGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine
• IUPAC Traditional name: 2,4-dimethyl-5,6,7,8-tetrahydro-1,8-naphthyridine
• Synonyms: 5,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine

Database IDs

• CAS Number: 65541-95-9
• MDL Number: MFCD13705330
• PubChem SID: 162098871
• PubChem CID: 12378181

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.03281282
• LogD (pH = 7.4): 0.8745904
• Log P: 1.9520577
• Molar Refractivity: 51.9517 cm^3
• Polarizability: 18.818268 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.666

Product Information

• Purity: 95+%