N-cyclopropyl-2-(cyclopropylamino)acetamide

• ChemBase ID: 268528
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: C1(NC(=O)CNC2CC2)CC1
• Canonical SMILES: O=C(NC1CC1)CNC1CC1
• InChI: InChI=1S/C8H14N2O/c11-8(10-7-3-4-7)5-9-6-1-2-6/h6-7,9H,1-5H2,(H,10,11)
• InChIKey: LDYLPWZAVVETOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-(cyclopropylamino)acetamide
• IUPAC Traditional name: N-cyclopropyl-2-(cyclopropylamino)acetamide
• Synonyms: N-cyclopropyl-2-(cyclopropylamino)acetamide

Database IDs

• MDL Number: MFCD09809958
• PubChem SID: 164324438
• PubChem CID: 20113931

CALCULATED PROPERTIES

• Acid pKa: 15.6855345
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.211221
• LogD (pH = 7.4): -1.5575923
• Log P: -0.36703265
• Molar Refractivity: 41.9193 cm^3
• Polarizability: 16.74643 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 47 - 49°C
• Hydrophobicity(logP): -0.096

Product Information

• Purity: 95%