Neutron diffraction with isotopic substitution was performed on aqueous solutions of isopropanol and 
isopropylamine. The difference between these two measurements primarily contains information about the 
different hydration of the alcohol and amino group. This data is used as a test of the accuracy of 
molecular dynamic simulations of the same systems. Having established the level of accuracy of the 
modeling, it is employed as an interpretive tool for the experimental data. Even though the alcohol 
and the amine possess comparable hydrogen bonding capabilities, consisting respectively of either two 
hydrogen bond acceptors and one donor, or two hydrogen bond donors and one acceptor, we find significant 
differences in the hydration of the hydroxyl and amino groups.