(Q27454083)

N-[(1R,2r,3S,5r,7r)-Adamantan-2-yl]-N'-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1,2-ethanediamine (English)

19 October 2016

chemical formula

C₂₂H₃₈N₂

1 reference

stated in

RCSB protein data bank

PDB ligand ID

3RX

16 February 2021

canonical SMILES

CC(=CCCC(=CCNCCNC1C2CC3CC(C2)CC1C3)C)C

1 reference

N-[(1R,2r,3S,5r,7r)-Adamantan-2-yl]-N'-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1,2-ethanediamine (English)

19 October 2016

isomeric SMILES

CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C

1 reference

N-[(1R,2r,3S,5r,7r)-Adamantan-2-yl]-N'-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1,2-ethanediamine (English)

InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+/t18-,19+,20-,21+,22-

19 October 2016

Identifiers

InChI

1 reference

N-[(1R,2r,3S,5r,7r)-Adamantan-2-yl]-N'-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1,2-ethanediamine (English)

JFIBVDBTCDTBRH-QMMKEILMSA-N

19 October 2016

InChIKey

1 reference

N-[(1R,2r,3S,5r,7r)-Adamantan-2-yl]-N'-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1,2-ethanediamine (English)

19 October 2016

1 reference

N-[(1R,2r,3S,5r,7r)-Adamantan-2-yl]-N'-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1,2-ethanediamine (English)

19 October 2016

0 references

0 references

1 reference

4EA1 (English)