4,4-dimethyl-N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine

• ChemBase ID: 229962
• Molecular Formular: C12H22N2S
• Molecular Mass: 226.38148
• Monoisotopic Mass: 226.15036971
• SMILES: C1(=NC(CS1)(C)C)NC1C(C)CCCC1
• Canonical SMILES: CC1CCCCC1NC1=NC(CS1)(C)C
• InChI: InChI=1S/C12H22N2S/c1-9-6-4-5-7-10(9)13-11-14-12(2,3)8-15-11/h9-10H,4-8H2,1-3H3,(H,13,14)
• InChIKey: MTTASESOWMUBMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-dimethyl-N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
• IUPAC Traditional name: 4,4-dimethyl-N-(2-methylcyclohexyl)-5H-1,3-thiazol-2-amine
• Synonyms: (4,4-Dimethyl-4,5-dihydro-thiazol-2-yl)-(2-methyl-cyclohexyl)-amine

Database IDs

• MDL Number: MFCD03653121
• PubChem SID: 164285872
• PubChem CID: 3813288

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0834243
• LogD (pH = 7.4): 2.4200132
• Log P: 3.3449306
• Molar Refractivity: 67.0127 cm^3
• Polarizability: 26.327305 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.641

Product Information

• Purity: 95%