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

• ChemBase ID: 248999
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: C1(=CCN(CC1)C)C(N)C
• Canonical SMILES: CN1CCC(=CC1)C(N)C
• InChI: InChI=1S/C8H16N2/c1-7(9)8-3-5-10(2)6-4-8/h3,7H,4-6,9H2,1-2H3
• InChIKey: FGXZEDMDGLAUPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164304909
• PubChem CID: 71758631

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.0553756
• LogD (pH = 7.4): -3.7805605
• Log P: 0.10680474
• Molar Refractivity: 45.2257 cm^3
• Polarizability: 17.577856 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.132

Product Information

• Purity: 95%