As the traditional fit among interconnecting components, interference fit has such advantages as high load-carrying capacity and simple structure, and it is widely used in mechanical engineering field. However, the majority of studies are limited within the interconnection of single layer or less than three layers. With the increasing of application of multi-layer interference fit in mechanical devices, in order to further improve design theory of multi-layer interference fit, on the basis of thick-walled cylinder theory, the relationship between the amount of interference and the displacement of inner and outer diameter was deduced through the analysis on the geometrical relationship among cylinders, and the equation of N-layer interference coupling which involved coupling pressure and amount of interference was derived. By means of the derived analytical method and Abaqus, the coupling pressure of interference fit and the stress concentration phenomenon on both ends of coupling surface were comparatively analyzed. The results showed that coupling pressure of inner layer increased with the increase of layer amount in N-layer interference fit, and the coupling pressure decreased from inner to outer layer, the results of analytical method and numerical method were basically consistent, the relative error of medium point was less than 4%, which showed that such analytical method is reliable for N-layer interference fit design. Meanwhile, the numerical method showed that the stress concentration existed on both ends of the coupling surface, and the stress concentration factor was smaller in the inner layer of each model, while it increased from inner to outer layer. The proposed algorithms and rules can provide guidance and help for the design of N-layer interference fit.