(2-aminoethyl)(3-methoxypropyl)methylamine

• ChemBase ID: 279492
• Molecular Formular: C7H18N2O
• Molecular Mass: 146.23062
• Monoisotopic Mass: 146.14191321
• SMILES: N(CCCOC)(CCN)C
• Canonical SMILES: COCCCN(CCN)C
• InChI: InChI=1S/C7H18N2O/c1-9(6-4-8)5-3-7-10-2/h3-8H2,1-2H3
• InChIKey: QJQMXWCURXPEDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(3-methoxypropyl)methylamine
• IUPAC Traditional name: (2-aminoethyl)(3-methoxypropyl)methylamine
• Synonyms: (2-aminoethyl)(3-methoxypropyl)methylamine

Database IDs

• MDL Number: MFCD12807109
• PubChem SID: 164335402
• PubChem CID: 54595302

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.223248
• LogD (pH = 7.4): -2.9409955
• Log P: -0.5938301
• Molar Refractivity: 43.8468 cm^3
• Polarizability: 17.369604 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.302

Product Information

• Purity: 95%