N-[(1-methyl-1H-imidazol-2-yl)methyl]cyclopropanamine

• ChemBase ID: 258525
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1(n(ccn1)C)CNC1CC1
• Canonical SMILES: Cn1ccnc1CNC1CC1
• InChI: InChI=1S/C8H13N3/c1-11-5-4-9-8(11)6-10-7-2-3-7/h4-5,7,10H,2-3,6H2,1H3
• InChIKey: UREQTTWCQRGANM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-methyl-1H-imidazol-2-yl)methyl]cyclopropanamine
• IUPAC Traditional name: N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
• Synonyms: N-[(1-methyl-1H-imidazol-2-yl)methyl]cyclopropanamine

Database IDs

• MDL Number: MFCD08060654
• PubChem SID: 164314435
• PubChem CID: 26722591

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9037967
• LogD (pH = 7.4): -0.3054739
• Log P: 0.17553167
• Molar Refractivity: 43.6957 cm^3
• Polarizability: 17.062506 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.291

Product Information

• Purity: 95%