1-(2-aminoethyl)cyclopropan-1-amine

• ChemBase ID: 285025
• Molecular Formular: C5H12N2
• Molecular Mass: 100.16218
• Monoisotopic Mass: 100.10004839
• SMILES: C1(CC1)(N)CCN
• Canonical SMILES: NCCC1(N)CC1
• InChI: InChI=1S/C5H12N2/c6-4-3-5(7)1-2-5/h1-4,6-7H2
• InChIKey: ASADPWMASHWPHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(2-aminoethyl)cyclopropan-1-amine
• Synonyms: 1-(2-aminoethyl)cyclopropan-1-amine

Database IDs

• MDL Number: MFCD19214534
• PubChem SID: 180670556
• PubChem CID: 12993143

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.831379
• LogD (pH = 7.4): -5.1048107
• Log P: -0.97314966
• Molar Refractivity: 29.8348 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.149

Product Information

• Purity: 95%