3-ethynyl-N-(5-methylhexan-2-yl)aniline

Systemtic Name: 3-ethynyl-N-(5-methylhexan-2-yl)aniline Openeye Name: N-(1,4-dimethylpentyl)-3-ethynyl-aniline CAS Name: 3-ethynyl-N-(5-methylhexan-2-yl)aniline IUPAC Name: 3-ethynyl-N-(5-methylhexan-2-yl)aniline Traditional Name: 1,4-dimethylpentyl-(3-ethynylphenyl)amine Formula: C15H21N MolecularWeight: 215.33394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N/c1-5-14-7-6-8-15(11-14)16-13(4)10-9-12(2)3/h1,6-8,11-13,16H,9-10H2,2-4H3