The 12-atom molecule isopropyl cyanide (i-C₃H₇CN) was observed toward Sgr B2 (N) with the ALMA observatory, as reported in Science in 2014 by Belloche and coworkers. These observations were part of the EMoCA survey. About 50 lines were attributed to the molecule. Isopropyl cyanide has also been detected toward Orion-KL by Pagani et al. Future observations of i-C₃H₇CN have been aided by subsequent experimental work by Kolesniková et al., which characterized additional lines of the molecule as well as various isotopologues and even the monohydrated species i-C₃H₇CN-H₂O.

Isopropyl cyanide has a branched structure with the –CN cyano group attached to the central C atom of a isopropyl radical. The unbranched, "normal" form, n-propyl cyanide, has also been detected. Isopropyl cyanide or isobutyronitrile is one of the numerous known astromolecules that include the cyano or isocyano groups.