4-methyl-1,2,3,6-tetrahydropyridine

• ChemBase ID: 309098
• Molecular Formular: C6H11N
• Molecular Mass: 97.15824
• Monoisotopic Mass: 97.08914936
• SMILES: N1CC=C(CC1)C
• Canonical SMILES: CC1=CCNCC1
• InChI: InChI=1S/C6H11N/c1-6-2-4-7-5-3-6/h2,7H,3-5H2,1H3
• InChIKey: IZGVOANXLNJMDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1,2,3,6-tetrahydropyridine
• IUPAC Traditional name: 4-methyl-1,2,3,6-tetrahydropyridine
• Synonyms: 4-methyl-1,2,3,6-tetrahydropyridine

Database IDs

• MDL Number: MFCD19216910

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5180423
• LogD (pH = 7.4): -1.7345185
• Log P: 0.6948347
• Molar Refractivity: 32.08 cm^3
• Polarizability: 12.366833 Å^3
• Polar Surface Area: 12.03 Å^2