1-(2-methylpropyl)-1H-imidazol-2-amine

• ChemBase ID: 266116
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: c1(n(ccn1)CC(C)C)N
• Canonical SMILES: CC(Cn1ccnc1N)C
• InChI: InChI=1S/C7H13N3/c1-6(2)5-10-4-3-9-7(10)8/h3-4,6H,5H2,1-2H3,(H2,8,9)
• InChIKey: SMWNYFLOMAYKKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpropyl)-1H-imidazol-2-amine
• IUPAC Traditional name: 1-(2-methylpropyl)imidazol-2-amine
• Synonyms: 1-(2-methylpropyl)-1H-imidazol-2-amine

Database IDs

• MDL Number: MFCD12164605
• PubChem SID: 164322026
• PubChem CID: 20217716

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.104967
• LogD (pH = 7.4): 0.17945695
• Log P: 1.1780791
• Molar Refractivity: 41.8274 cm^3
• Polarizability: 15.563984 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.159

Product Information

• Purity: 95%