4-(1,3-benzodioxol-5-yl)-N-prop-2-ynyl-butan-2-amine

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-prop-2-ynyl-butan-2-amine Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-prop-2-ynyl-butan-2-amine CAS Name: 4-(1,3-benzodioxol-5-yl)-N-prop-2-ynyl-2-butanamine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-prop-2-ynylbutan-2-amine Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]-propargyl-amine Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)NCC#C

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)NCC#C

InChI

InChI=1S/C14H17NO2/c1-3-8-15-11(2)4-5-12-6-7-13-14(9-12)17-10-16-13/h1,6-7,9,11,15H,4-5,8,10H2,2H3