N-[(E)-6,6-dimethylhept-2-en-4-ynyl]-N-methyl-cyclopropanamine; 1-phenylethanone

Systemtic Name: N-[(E)-6,6-dimethylhept-2-en-4-ynyl]-N-methyl-cyclopropanamine; 1-phenylethanone Openeye Name: N-[(E)-6,6-dimethylhept-2-en-4-ynyl]-N-methyl-cyclopropanamine; 1-phenylethanone CAS Name: N-[(E)-6,6-dimethylhept-2-en-4-ynyl]-N-methylcyclopropanamine; 1-phenylethanone IUPAC Name: N-[(E)-6,6-dimethylhept-2-en-4-ynyl]-N-methylcyclopropanamine; 1-phenylethanone Traditional Name: acetophenone; cyclopropyl-[(E)-6,6-dimethylhept-2-en-4-ynyl]-methyl-amine Formula: C21H29NO MolecularWeight: 311.46106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1.CC(C)(C)C#CC=CCN(C)C1CC1

Isomeric SMILES

CC(=O)C1=CC=CC=C1.CC(C)(C)C#C/C=C/CN(C)C1CC1

InChI

InChI=1S/C13H21N.C8H8O/c1-13(2,3)10-6-5-7-11-14(4)12-8-9-12;1-7(9)8-5-3-2-4-6-8/h5,7,12H,8-9,11H2,1-4H3;2-6H,1H3/b7-5+;