tert-butyl 4-(2-azanylethyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(2-azanylethyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(2-aminoethyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(2-aminoethyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C12H25N3O2 MolecularWeight: 243.3458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)CCN

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)CCN

InChI

InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)15-7-4-6-14(8-5-13)9-10-15/h4-10,13H2,1-3H3