N-(2-aminoethyl)cyclopropanamine

• ChemBase ID: 266583
• Molecular Formular: C5H12N2
• Molecular Mass: 100.16218
• Monoisotopic Mass: 100.10004839
• SMILES: C1(CC1)NCCN
• Canonical SMILES: NCCNC1CC1
• InChI: InChI=1S/C5H12N2/c6-3-4-7-5-1-2-5/h5,7H,1-4,6H2
• InChIKey: BUMRERJTUCBSQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11593966
• PubChem SID: 164322493
• PubChem CID: 10240769

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.2851453
• LogD (pH = 7.4): -3.1139314
• Log P: -0.5242977
• Molar Refractivity: 29.8544 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.812

Product Information

• Purity: 95%