3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]aniline

Systemtic Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]aniline Openeye Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]aniline CAS Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]aniline IUPAC Name: 3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]aniline Traditional Name: (3-aminobenzyl)-[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amine Formula: C18H26N2 MolecularWeight: 270.41244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)N

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)N

InChI

InChI=1S/C18H26N2/c1-5-20(13-8-6-7-12-18(2,3)4)15-16-10-9-11-17(19)14-16/h6,8-11,14H,5,13,15,19H2,1-4H3/b8-6+