[6-(2-methylmorpholin-4-yl)pyridin-3-yl]methanamine

• ChemBase ID: 258283
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: N1(c2ncc(cc2)CN)CC(OCC1)C
• Canonical SMILES: NCc1ccc(nc1)N1CCOC(C1)C
• InChI: InChI=1S/C11H17N3O/c1-9-8-14(4-5-15-9)11-3-2-10(6-12)7-13-11/h2-3,7,9H,4-6,8,12H2,1H3
• InChIKey: MGMPELBTPGCHAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(2-methylmorpholin-4-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(2-methylmorpholin-4-yl)pyridin-3-yl]methanamine
• Synonyms: [6-(2-methylmorpholin-4-yl)pyridin-3-yl]methylamine

Database IDs

• MDL Number: MFCD09049975
• PubChem SID: 164314193
• PubChem CID: 16777513

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2135544
• LogD (pH = 7.4): -1.0806137
• Log P: 0.7819178
• Molar Refractivity: 60.6099 cm^3
• Polarizability: 23.101873 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.485

Product Information

• Purity: 95%