N-(2-aminoethyl)cyclopropanecarboxamide

• ChemBase ID: 251426
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: C1(C(=O)NCCN)CC1
• Canonical SMILES: NCCNC(=O)C1CC1
• InChI: InChI=1S/C6H12N2O/c7-3-4-8-6(9)5-1-2-5/h5H,1-4,7H2,(H,8,9)
• InChIKey: IOKJAZWKXFLGJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09927906
• PubChem SID: 164307336
• PubChem CID: 12841723

CALCULATED PROPERTIES

• Acid pKa: 16.043964
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.765606
• LogD (pH = 7.4): -2.5719159
• Log P: -0.82379985
• Molar Refractivity: 34.7116 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.977

Product Information

• Purity: 95%