ethyl[1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-yl]amine

• ChemBase ID: 269558
• Molecular Formular: C11H21N3
• Molecular Mass: 195.30454
• Monoisotopic Mass: 195.17354769
• SMILES: n1(cncc1)CC(C(C)(C)C)NCC
• Canonical SMILES: CCNC(C(C)(C)C)Cn1cncc1
• InChI: InChI=1S/C11H21N3/c1-5-13-10(11(2,3)4)8-14-7-6-12-9-14/h6-7,9-10,13H,5,8H2,1-4H3
• InChIKey: DYFWERVJCLLPNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-yl]amine
• IUPAC Traditional name: ethyl[1-(imidazol-1-yl)-3,3-dimethylbutan-2-yl]amine
• Synonyms: ethyl[1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-yl]amine

Database IDs

• MDL Number: MFCD12046027
• PubChem SID: 164325468
• PubChem CID: 43749579

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9542156
• LogD (pH = 7.4): -1.009487
• Log P: 1.7529275
• Molar Refractivity: 59.195 cm^3
• Polarizability: 23.329361 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.685

Product Information

• Purity: 95%