N-(2-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

• ChemBase ID: 229960
• Molecular Formular: C11H20N2S
• Molecular Mass: 212.3549
• Monoisotopic Mass: 212.13471965
• SMILES: C1(=NCCCS1)NC1C(C)CCCC1
• Canonical SMILES: CC1CCCCC1NC1=NCCCS1
• InChI: InChI=1S/C11H20N2S/c1-9-5-2-3-6-10(9)13-11-12-7-4-8-14-11/h9-10H,2-8H2,1H3,(H,12,13)
• InChIKey: KHBQUQCRMLRFHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
• IUPAC Traditional name: N-(2-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
• Synonyms: (5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(2-methyl-cyclohexyl)-amine

Database IDs

• MDL Number: MFCD03653089
• PubChem SID: 164285870
• PubChem CID: 5018374

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4810752
• LogD (pH = 7.4): 1.2996652
• Log P: 2.863646
• Molar Refractivity: 62.6671 cm^3
• Polarizability: 24.48293 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.162

Product Information

• Purity: 95%