N-(2-aminoethyl)-N-(2-methoxyethyl)cyclopropanamine

• ChemBase ID: 269909
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: C1(CC1)N(CCN)CCOC
• Canonical SMILES: COCCN(C1CC1)CCN
• InChI: InChI=1S/C8H18N2O/c1-11-7-6-10(5-4-9)8-2-3-8/h8H,2-7,9H2,1H3
• InChIKey: FJZJBUNEJJXPRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-N-(2-methoxyethyl)cyclopropanamine
• IUPAC Traditional name: N-(2-aminoethyl)-N-(2-methoxyethyl)cyclopropanamine
• Synonyms: N-(2-aminoethyl)-N-(2-methoxyethyl)cyclopropanamine

Database IDs

• MDL Number: MFCD14627851
• PubChem SID: 164325819
• PubChem CID: 50989307

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.3836226
• LogD (pH = 7.4): -2.2949052
• Log P: -0.18822531
• Molar Refractivity: 46.1926 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.608

Product Information

• Purity: 95%