1-Isocyanoadamantane finds its primary application in the field of organic synthesis, particularly in the development of novel pharmaceuticals and advanced materials. Its unique adamantane structure, combined with the reactive isocyano group, makes it a valuable building block for creating complex molecules with enhanced stability and specific biological activities. In medicinal chemistry, it is utilized to design and synthesize drug candidates targeting neurological disorders, due to its ability to cross the blood-brain barrier efficiently. Additionally, it serves as a key intermediate in the production of high-performance polymers and coatings, where its rigid structure contributes to improved thermal and mechanical properties. The compound is also explored in the development of supramolecular assemblies and nanomaterials, leveraging its ability to form stable and well-defined architectures.