N-[1-(pyridin-2-yl)ethyl]cyclopropanamine

• ChemBase ID: 259845
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: N(C1CC1)C(c1ncccc1)C
• Canonical SMILES: CC(c1ccccn1)NC1CC1
• InChI: InChI=1S/C10H14N2/c1-8(12-9-5-6-9)10-4-2-3-7-11-10/h2-4,7-9,12H,5-6H2,1H3
• InChIKey: BPKDBQRPWTWGOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(pyridin-2-yl)ethyl]cyclopropanamine
• IUPAC Traditional name: N-[1-(pyridin-2-yl)ethyl]cyclopropanamine
• Synonyms: N-[1-(pyridin-2-yl)ethyl]cyclopropanamine

Database IDs

• MDL Number: MFCD09044472
• PubChem SID: 164315755
• PubChem CID: 16772160

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2331489
• LogD (pH = 7.4): 0.4845194
• Log P: 1.4297229
• Molar Refractivity: 48.332 cm^3
• Polarizability: 19.450346 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.676

Product Information

• Purity: 95%