AnodyneWiki

Isometheptene

Isometheptene

Salts []
Isometheptene hydrochloride

Molecular structure via molpic based on CDK

Rotamer []

Conformer structure via 3Dmol.js

Physical properties []
Molecular mass	141.25 g/mol ^[1]
Predicted LogP	2.5 ^[1]

Structural Identifiers []
Molecular formula	C₉H₁₉N ^[1]
IUPAC name	N,6-dimethylhept-5-en-2-amine ^[1]
SMILES	CC(CCC=C(C)C)NC ^[1]
InChI	InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3 ^[1]
InChIKey	XVQUOJBERHHONY-UHFFFAOYSA-N ^[1]

Isometheptene (also known as Octanil, Isonyl, Octin, 6-Methylamino-2-methylheptene, 5-Hepten-2-amine, N,6-dimethyl-, Isometepteno, Isometheptenum, Methyloctenylamine, methyl(6-methylhept-5-en-2-yl)amine or N,6-Dimethyl-5-hepten-2-amine) is a sympathomimetic substance of the amine class.

Chemistry

Salts []

Isometheptene is typically found in the form of its hydrochloride salt.

Stereochemistry []

Isometheptene is a racemic mixture of the enantiomers.

Stereoisomerism
(R)-Isometheptene (S)-Isometheptene
Stereoisomer enumberation with rdkit

Pharmacology

ATC Classification

In the alimentary tract and metabolism (A) isometheptene acts

Subjective effects []

class / Sympathomimetic

Physical effects
Abnormal heartbeat Dehydration Dry mouth Increased blood pressure Increased heart rate Restless legs Shakiness Stamina enhancement Vasoconstriction

Cognitive effects
Thought acceleration Wakefulness

External links []

References []

National Center for Biotechnology Information. PubChem Compound Summary for CID 22297, Isometheptene. Accessed August 22, 2026. https://pubchem.ncbi.nlm.nih.gov/compound/22297
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Isometheptene. UNII: Y7L24THH6T. Global Substance Registration System. Accessed August 22, 2026. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y7L24THH6T