1-(6-methoxypyridin-3-yl)cyclobutan-1-amine

• ChemBase ID: 800538
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C1(CCC1)(N)c1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)C1(N)CCC1
• InChI: InChI=1S/C10H14N2O/c1-13-9-4-3-8(7-12-9)10(11)5-2-6-10/h3-4,7H,2,5-6,11H2,1H3
• InChIKey: MPIYRJPXFQXGME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methoxypyridin-3-yl)cyclobutan-1-amine
• IUPAC Traditional name: 1-(6-methoxypyridin-3-yl)cyclobutan-1-amine
• Synonyms: 1-(6-METHOXYPYRIDIN-3-YL)CYCLOBUTANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.836656
• LogD (pH = 7.4): -0.90370363
• Log P: 1.15203
• Molar Refractivity: 50.853 cm^3
• Polarizability: 20.108953 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%