methyl({[6-(morpholin-4-yl)pyridin-2-yl]methyl})amine

• ChemBase ID: 101217
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: c1(nc(CNC)ccc1)N1CCOCC1
• Canonical SMILES: CNCc1cccc(n1)N1CCOCC1
• InChI: InChI=1S/C11H17N3O/c1-12-9-10-3-2-4-11(13-10)14-5-7-15-8-6-14/h2-4,12H,5-9H2,1H3
• InChIKey: CULRQHZBTPUFEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[6-(morpholin-4-yl)pyridin-2-yl]methyl})amine
• IUPAC Traditional name: methyl({[6-(morpholin-4-yl)pyridin-2-yl]methyl})amine
• Synonyms: N-methyl-N-[(6-morpholin-4-ylpyridin-2-yl)methyl]amine

Database IDs

• CAS Number: 886851-30-5
• MDL Number: MFCD08435863
• PubChem SID: 162086735
• PubChem CID: 18525740

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9159089
• LogD (pH = 7.4): -0.23625854
• Log P: 0.87939507
• Molar Refractivity: 60.4435 cm^3
• Polarizability: 23.102667 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 90%