5,5-dimethyl-2-(4-methylpentylamino)-3-[(4-methylpentylamino)methyl]cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-2-(4-methylpentylamino)-3-[(4-methylpentylamino)methyl]cyclohex-2-en-1-one Openeye Name: 2-(isohexylamino)-3-[(isohexylamino)methyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-2-(4-methylpentylamino)-3-[(4-methylpentylamino)methyl]-1-cyclohex-2-enone IUPAC Name: 5,5-dimethyl-2-(4-methylpentylamino)-3-[(4-methylpentylamino)methyl]cyclohex-2-en-1-one Traditional Name: 2-(isohexylamino)-3-[(isohexylamino)methyl]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C21H40N2O MolecularWeight: 336.5551

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNCC1=C(C(=O)CC(C1)(C)C)NCCCC(C)C

Isomeric SMILES

CC(C)CCCNCC1=C(C(=O)CC(C1)(C)C)NCCCC(C)C

InChI

InChI=1S/C21H40N2O/c1-16(2)9-7-11-22-15-18-13-21(5,6)14-19(24)20(18)23-12-8-10-17(3)4/h16-17,22-23H,7-15H2,1-6H3