[1-(6-methoxypyridin-2-yl)cyclopropyl]methanamine

• ChemBase ID: 814775
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(N)C1(CC1)c1nc(ccc1)OC
• Canonical SMILES: NCC1(CC1)c1cccc(n1)OC
• InChI: InChI=1S/C10H14N2O/c1-13-9-4-2-3-8(12-9)10(7-11)5-6-10/h2-4H,5-7,11H2,1H3
• InChIKey: TYXDKUPETPVOHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(6-methoxypyridin-2-yl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(6-methoxypyridin-2-yl)cyclopropyl]methanamine
• Synonyms: (1-(6-methoxypyridin-2-yl)cyclopropyl)methanamine

Database IDs

• CAS Number: 1060807-05-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6902374
• LogD (pH = 7.4): -0.58703214
• Log P: 1.2718874
• Molar Refractivity: 50.6017 cm^3
• Polarizability: 20.03455 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%