[6-(cyclopropylmethoxy)pyridin-3-yl]methanamine

• ChemBase ID: 266619
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: n1c(OCC2CC2)ccc(c1)CN
• Canonical SMILES: NCc1ccc(nc1)OCC1CC1
• InChI: InChI=1S/C10H14N2O/c11-5-9-3-4-10(12-6-9)13-7-8-1-2-8/h3-4,6,8H,1-2,5,7,11H2
• InChIKey: WQQYQIQPOIYTEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(cyclopropylmethoxy)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(cyclopropylmethoxy)pyridin-3-yl]methanamine
• Synonyms: [6-(cyclopropylmethoxy)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD11136583
• PubChem SID: 164322529
• PubChem CID: 28413642

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8432313
• LogD (pH = 7.4): -0.6499956
• Log P: 1.0987054
• Molar Refractivity: 51.0932 cm^3
• Polarizability: 20.109713 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.39

Product Information

• Purity: 95%