Reinforced polymeric composites with natural fibers have garnered significant interest in recent years due to the need for biomass utilization and the requirements of various industries, such as automotive and construction. Among these natural fibers, Agave lechuguilla fiber, commonly known as ixtle (FIx) or Tampico fiber, exhibits important characteristics such as length, high strength, and durability. However, there is limited literature on its conditioning, functionalization, and utilization as a reinforcing material in polymeric composites (CP). This study presents the optimization of the alkali-silane treatment of FIx, identifying the most suitable reaction conditions to enhance their thermal stability, tensile strength, and silane coupling agent (ACSi) grafting on the fiber surface. The chemical treatment with ACSi proved highly effective, resulting in a significant grafting content, which was confirmed through FTIR and SEM–EDS analyses. The high level of functionalization did not compromise the mechanical performance of the fibers, suggesting that functionalized FIx holds great potential as a reinforcing material in CP. These findings open new paths for the sustainable use of Agave lechuguilla fibers, contributing to the development of environmentally friendly and high-performance polymeric composites in various industrial applications.