Are you trying to write a model that predicts the density of a solid?
It has been tried in the past and fails miserably, so if you want to improve that, you're welcome.
This must be very difficult, because, just like the melting point does, it depends on detailed arrangement of the modecules, which can stack in any position they want, and may deform to improve that.
If you hope to count the number of amines, double bonds... and deduce anything about the solid, just forget it.