N-(2-aminoethyl)-N-ethylcyclopropanamine

• ChemBase ID: 268054
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: C1(CC1)N(CCN)CC
• Canonical SMILES: NCCN(C1CC1)CC
• InChI: InChI=1S/C7H16N2/c1-2-9(6-5-8)7-3-4-7/h7H,2-6,8H2,1H3
• InChIKey: PCRMAYOLQMQWRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11623313
• PubChem SID: 164323964
• PubChem CID: 10396864

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.5399833
• LogD (pH = 7.4): -2.2420566
• Log P: 0.21555814
• Molar Refractivity: 39.8977 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.79

Product Information

• Purity: 95%