N-(2-aminoethyl)-N-methylcyclopropanamine

• ChemBase ID: 263566
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: C1(CC1)N(CCN)C
• Canonical SMILES: NCCN(C1CC1)C
• InChI: InChI=1S/C6H14N2/c1-8(5-4-7)6-2-3-6/h6H,2-5,7H2,1H3
• InChIKey: BOGOVRPYKWYEKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11623815
• PubChem SID: 164319476
• PubChem CID: 9989245

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.7013226
• LogD (pH = 7.4): -2.4369383
• Log P: -0.1412498
• Molar Refractivity: 35.1491 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.261

Product Information

• Purity: 95%