N-[2-(pyridin-4-yl)ethyl]cyclopropanamine

• ChemBase ID: 31785
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: C1(CC1)NCCc1ccncc1
• Canonical SMILES: C(Cc1ccncc1)NC1CC1
• InChI: InChI=1S/C10H14N2/c1-2-10(1)12-8-5-9-3-6-11-7-4-9/h3-4,6-7,10,12H,1-2,5,8H2
• InChIKey: PUFKXLFZJPNBDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(pyridin-4-yl)ethyl]cyclopropanamine
• IUPAC Traditional name: N-[2-(pyridin-4-yl)ethyl]cyclopropanamine
• Synonyms: Cyclopropyl-(2-pyridin-4-yl-ethyl)-amine

Database IDs

• MDL Number: MFCD08456875
• PubChem SID: 160995092
• PubChem CID: 22277813

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3422124
• LogD (pH = 7.4): -1.222177
• Log P: 1.068148
• Molar Refractivity: 49.1153 cm^3
• Polarizability: 19.372005 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false