2-methylidenebutanedioic acid; 2-methyl-N-(2-methylpropyl)propan-1-amine

Systemtic Name: 2-methylidenebutanedioic acid; 2-methyl-N-(2-methylpropyl)propan-1-amine Openeye Name: N-isobutyl-2-methyl-propan-1-amine; 2-methylenebutanedioic acid CAS Name: 2-methylenebutanedioic acid; 2-methyl-N-(2-methylpropyl)-1-propanamine IUPAC Name: 2-methylidenebutanedioic acid; 2-methyl-N-(2-methylpropyl)propan-1-amine Traditional Name: diisobutylamine; itaconic acid Formula: C13H25NO4 MolecularWeight: 259.3419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC(C)C.C=C(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CNCC(C)C.C=C(CC(=O)O)C(=O)O

InChI

InChI=1S/C8H19N.C5H6O4/c1-7(2)5-9-6-8(3)4;1-3(5(8)9)2-4(6)7/h7-9H,5-6H2,1-4H3;1-2H2,(H,6,7)(H,8,9)