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

• ChemBase ID: 258171
• Molecular Formular: C12H19N3O
• Molecular Mass: 221.29876
• Monoisotopic Mass: 221.15281224
• SMILES: N1(c2ncc(cc2)CN)CC(OC(C1)C)C
• Canonical SMILES: NCc1ccc(nc1)N1CC(C)OC(C1)C
• InChI: InChI=1S/C12H19N3O/c1-9-7-15(8-10(2)16-9)12-4-3-11(5-13)6-14-12/h3-4,6,9-10H,5,7-8,13H2,1-2H3
• InChIKey: DKOOGSOFRGBDJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09048690
• PubChem SID: 164314081
• PubChem CID: 16776245

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.796756
• LogD (pH = 7.4): -0.6639379
• Log P: 1.1984928
• Molar Refractivity: 65.0287 cm^3
• Polarizability: 24.943727 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.004

Product Information

• Purity: 95%