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

• ChemBase ID: 143986
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: Cc1nccn1CC1(CC1)CN
• Canonical SMILES: NCC1(CC1)Cn1ccnc1C
• InChI: InChI=1S/C9H15N3/c1-8-11-4-5-12(8)7-9(6-10)2-3-9/h4-5H,2-3,6-7,10H2,1H3
• InChIKey: CQUJOKCZKKWSAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 959239-97-5
• MDL Number: MFCD09864494
• PubChem SID: 162238203
• PubChem CID: 28064579

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.0587068
• LogD (pH = 7.4): -2.7411842
• Log P: -0.027558241
• Molar Refractivity: 48.1225 cm^3
• Polarizability: 18.829391 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C9H15N3

DETAILS

Sigma Aldrich - CBR00299

Other Notes
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Legal Information
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