N-(3-chloranyl-3-methyl-but-1-ynyl)hexadecan-1-amine

Systemtic Name: N-(3-chloranyl-3-methyl-but-1-ynyl)hexadecan-1-amine Openeye Name: N-(3-chloro-3-methyl-but-1-ynyl)hexadecan-1-amine CAS Name: N-(3-chloro-3-methylbut-1-ynyl)-1-hexadecanamine IUPAC Name: N-(3-chloro-3-methylbut-1-ynyl)hexadecan-1-amine Traditional Name: cetyl-(3-chloro-3-methyl-but-1-ynyl)amine Formula: C21H40ClN MolecularWeight: 342.002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC#CC(C)(C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC#CC(C)(C)Cl

InChI

InChI=1S/C21H40ClN/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-21(2,3)22/h23H,4-17,19H2,1-3H3