{1-[(2-ethyl-1H-imidazol-1-yl)methyl]cyclopropyl}methanamine

• ChemBase ID: 307994
• Molecular Formular: C10H17N3
• Molecular Mass: 179.26208
• Monoisotopic Mass: 179.14224756
• SMILES: n1(c(ncc1)CC)CC1(CC1)CN
• Canonical SMILES: NCC1(CC1)Cn1ccnc1CC
• InChI: InChI=1S/C10H17N3/c1-2-9-12-5-6-13(9)8-10(7-11)3-4-10/h5-6H,2-4,7-8,11H2,1H3
• InChIKey: NPTBUGNUIWFNCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[(2-ethyl-1H-imidazol-1-yl)methyl]cyclopropyl}methanamine
• IUPAC Traditional name: {1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl}methanamine
• Synonyms: ({1-[(2-ethyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)amine

Database IDs

• CAS Number: 1015846-38-4
• MDL Number: MFCD09971231

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3396225
• LogD (pH = 7.4): -1.9939286
• Log P: 0.6729776
• Molar Refractivity: 52.7494 cm^3
• Polarizability: 20.672071 Å^3
• Polar Surface Area: 43.84 Å^2