2-methylpropyl 4-(2-azanylethyl)-1,4-diazepane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25N3O2/c1-11(2)10-17-12(16)15-6-3-5-14(7-4-13)8-9-15/h11H,3-10,13H2,1-2H3