2-(2,2-dimethylmorpholin-4-yl)ethan-1-amine

• ChemBase ID: 267266
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(CC(OCC1)(C)C)CCN
• Canonical SMILES: NCCN1CCOC(C1)(C)C
• InChI: InChI=1S/C8H18N2O/c1-8(2)7-10(4-3-9)5-6-11-8/h3-7,9H2,1-2H3
• InChIKey: QCDSWQRGKZQULM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,2-dimethylmorpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2,2-dimethylmorpholin-4-yl)ethanamine
• Synonyms: 2-(2,2-dimethylmorpholin-4-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD12080660
• PubChem SID: 164323176
• PubChem CID: 20069545

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.55984
• LogD (pH = 7.4): -2.0893905
• Log P: -0.1281631
• Molar Refractivity: 46.0694 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.627

Product Information

• Purity: 95%