1-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]azepan-2-one

Systemtic Name: 1-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]azepan-2-one Openeye Name: 1-[2-(aminomethyl)-5-(1,1-dimethylpropyl)cyclohexyl]azepan-2-one CAS Name: 1-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]-2-azepanone IUPAC Name: 1-[2-(aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]azepan-2-one Traditional Name: 1-[2-(aminomethyl)-5-tert-amyl-cyclohexyl]azepan-2-one Formula: C18H34N2O MolecularWeight: 294.47536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(C(C1)N2CCCCCC2=O)CN

Isomeric SMILES

CCC(C)(C)C1CCC(C(C1)N2CCCCCC2=O)CN

InChI

InChI=1S/C18H34N2O/c1-4-18(2,3)15-10-9-14(13-19)16(12-15)20-11-7-5-6-8-17(20)21/h14-16H,4-13,19H2,1-3H3