(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine

• ChemBase ID: 247176
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: N1(CC=C(CC1)CN)C
• Canonical SMILES: NCC1=CCN(CC1)C
• InChI: InChI=1S/C7H14N2/c1-9-4-2-7(6-8)3-5-9/h2H,3-6,8H2,1H3
• InChIKey: XUELPHBYTUIHJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine
• IUPAC Traditional name: (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
• Synonyms: (1-methyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine

Database IDs

• MDL Number: MFCD19212100
• PubChem SID: 164303086
• PubChem CID: 55283731

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.51911
• LogD (pH = 7.4): -4.1168447
• Log P: -0.3097703
• Molar Refractivity: 40.8069 cm^3
• Polarizability: 15.7311125 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.271

Product Information

• Purity: 95%