3-ethynyl-N-pentan-3-yl-aniline

Systemtic Name: 3-ethynyl-N-pentan-3-yl-aniline Openeye Name: N-(1-ethylpropyl)-3-ethynyl-aniline CAS Name: 3-ethynyl-N-pentan-3-ylaniline IUPAC Name: 3-ethynyl-N-pentan-3-ylaniline Traditional Name: 1-ethylpropyl-(3-ethynylphenyl)amine Formula: C13H17N MolecularWeight: 187.28078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N/c1-4-11-8-7-9-13(10-11)14-12(5-2)6-3/h1,7-10,12,14H,5-6H2,2-3H3