[2,2-dimethyl-3-(morpholin-4-yl)propyl](methyl)amine

• ChemBase ID: 242149
• Molecular Formular: C10H22N2O
• Molecular Mass: 186.29448
• Monoisotopic Mass: 186.17321333
• SMILES: N1(CC(CNC)(C)C)CCOCC1
• Canonical SMILES: CNCC(CN1CCOCC1)(C)C
• InChI: InChI=1S/C10H22N2O/c1-10(2,8-11-3)9-12-4-6-13-7-5-12/h11H,4-9H2,1-3H3
• InChIKey: GNNLMCQBKWFAAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,2-dimethyl-3-(morpholin-4-yl)propyl](methyl)amine
• IUPAC Traditional name: [2,2-dimethyl-3-(morpholin-4-yl)propyl](methyl)amine
• Synonyms: [2,2-dimethyl-3-(morpholin-4-yl)propyl](methyl)amine

Database IDs

• MDL Number: MFCD16700549
• PubChem SID: 164298059
• PubChem CID: 62261863

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.496067
• LogD (pH = 7.4): -2.2575083
• Log P: 0.63890046
• Molar Refractivity: 55.4117 cm^3
• Polarizability: 22.168617 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.934

Product Information

• Purity: 95%