(2-cyclobutoxypyridin-4-yl)methanamine

• ChemBase ID: 244287
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: c1(nccc(c1)CN)OC1CCC1
• Canonical SMILES: NCc1ccnc(c1)OC1CCC1
• InChI: InChI=1S/C10H14N2O/c11-7-8-4-5-12-10(6-8)13-9-2-1-3-9/h4-6,9H,1-3,7,11H2
• InChIKey: RICSSZZGTICHJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-cyclobutoxypyridin-4-yl)methanamine
• IUPAC Traditional name: (2-cyclobutoxypyridin-4-yl)methanamine
• Synonyms: (2-cyclobutoxypyridin-4-yl)methanamine

Database IDs

• MDL Number: MFCD16684252
• PubChem SID: 164300197
• PubChem CID: 62115802

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7199793
• LogD (pH = 7.4): -0.55243725
• Log P: 1.2282612
• Molar Refractivity: 50.9634 cm^3
• Polarizability: 20.109344 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.33

Product Information

• Purity: 95%