3-ethynyl-N-heptan-2-yl-aniline

Systemtic Name: 3-ethynyl-N-heptan-2-yl-aniline Openeye Name: 3-ethynyl-N-(1-methylhexyl)aniline CAS Name: 3-ethynyl-N-heptan-2-ylaniline IUPAC Name: 3-ethynyl-N-heptan-2-ylaniline Traditional Name: (3-ethynylphenyl)-(1-methylhexyl)amine Formula: C15H21N MolecularWeight: 215.33394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1=CC=CC(=C1)C#C

Isomeric SMILES

CCCCCC(C)NC1=CC=CC(=C1)C#C

InChI

InChI=1S/C15H21N/c1-4-6-7-9-13(3)16-15-11-8-10-14(5-2)12-15/h2,8,10-13,16H,4,6-7,9H2,1,3H3