Macrozamia montana is a distinct species that was named by Ken Hill in 1998 based on its attribute of growing on the sides of mountainous areas, slopes and steep ridges. The Latin specific epithetmontana refers to mountains or coming from mountains.
Macrozamia montana is part of the genus Macrozamia but is isolated from the rest of the genus. It is more closely related to larger M. communis plants in New South Wales, Australia than the smaller M. communis plants on the north of Newcastle. The petioles of the M. communis however, grow to about 10–40 cm long which is far longer than those of the M. montana.