N-(2,6-dimethylcyclohexyl)-3-ethynyl-aniline

Systemtic Name: N-(2,6-dimethylcyclohexyl)-3-ethynyl-aniline Openeye Name: N-(2,6-dimethylcyclohexyl)-3-ethynyl-aniline CAS Name: N-(2,6-dimethylcyclohexyl)-3-ethynylaniline IUPAC Name: N-(2,6-dimethylcyclohexyl)-3-ethynylaniline Traditional Name: (2,6-dimethylcyclohexyl)-(3-ethynylphenyl)amine Formula: C16H21N MolecularWeight: 227.34464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1NC2=CC=CC(=C2)C#C)C

Isomeric SMILES

CC1CCCC(C1NC2=CC=CC(=C2)C#C)C

InChI

InChI=1S/C16H21N/c1-4-14-9-6-10-15(11-14)17-16-12(2)7-5-8-13(16)3/h1,6,9-13,16-17H,5,7-8H2,2-3H3