3-ethynyl-N-heptan-4-yl-aniline

Systemtic Name: 3-ethynyl-N-heptan-4-yl-aniline Openeye Name: 3-ethynyl-N-(1-propylbutyl)aniline CAS Name: 3-ethynyl-N-heptan-4-ylaniline IUPAC Name: 3-ethynyl-N-heptan-4-ylaniline Traditional Name: (3-ethynylphenyl)-(1-propylbutyl)amine Formula: C15H21N MolecularWeight: 215.33394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=CC=CC(=C1)C#C

Isomeric SMILES

CCCC(CCC)NC1=CC=CC(=C1)C#C

InChI

InChI=1S/C15H21N/c1-4-8-14(9-5-2)16-15-11-7-10-13(6-3)12-15/h3,7,10-12,14,16H,4-5,8-9H2,1-2H3