[3-(4-methyl-1,3-thiazol-5-yl)propyl](6-methylhept-5-en-2-yl)amine

• ChemBase ID: 820380
• Molecular Formular: C15H26N2S
• Molecular Mass: 266.44534
• Monoisotopic Mass: 266.18166984
• SMILES: n1c(c(sc1)CCCNC(CCC=C(C)C)C)C
• Canonical SMILES: CC(CCC=C(C)C)NCCCc1scnc1C
• InChI: InChI=1S/C15H26N2S/c1-12(2)7-5-8-13(3)16-10-6-9-15-14(4)17-11-18-15/h7,11,13,16H,5-6,8-10H2,1-4H3
• InChIKey: ZHAXVJZHTXLVKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-methyl-1,3-thiazol-5-yl)propyl](6-methylhept-5-en-2-yl)amine
• IUPAC Traditional name: [3-(4-methyl-1,3-thiazol-5-yl)propyl](6-methylhept-5-en-2-yl)amine
• Synonyms: (1,5-dimethyl-4-hexen-1-yl)[3-(4-methyl-1,3-thiazol-5-yl)propyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4631763
• LogD (pH = 7.4): 0.85604084
• Log P: 3.698478
• Molar Refractivity: 81.293 cm^3
• Polarizability: 31.328894 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.62
• LOG S: -3.23
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 8