[2-(butan-2-yloxy)pyridin-4-yl]methanamine

• ChemBase ID: 247496
• Molecular Formular: C10H16N2O
• Molecular Mass: 180.24684
• Monoisotopic Mass: 180.12626314
• SMILES: c1(nccc(c1)CN)OC(CC)C
• Canonical SMILES: CCC(Oc1nccc(c1)CN)C
• InChI: InChI=1S/C10H16N2O/c1-3-8(2)13-10-6-9(7-11)4-5-12-10/h4-6,8H,3,7,11H2,1-2H3
• InChIKey: GKQRPDYZKWKDRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(butan-2-yloxy)pyridin-4-yl]methanamine
• IUPAC Traditional name: [2-(sec-butoxy)pyridin-4-yl]methanamine
• Synonyms: [2-(butan-2-yloxy)pyridin-4-yl]methanamine

Database IDs

• MDL Number: MFCD16043918
• PubChem SID: 164303406
• PubChem CID: 60904526

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3342317
• LogD (pH = 7.4): -0.16679353
• Log P: 1.6140335
• Molar Refractivity: 52.8426 cm^3
• Polarizability: 20.84129 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.784

Product Information

• Purity: 95%