3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; butyl prop-2-enoate; prop-2-enoic acid

Systemtic Name: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; butyl prop-2-enoate; prop-2-enoic acid Openeye Name: acrylic acid; 3-(aminomethyl)-3,5,5-trimethyl-cyclohexanamine; butyl prop-2-enoate CAS Name: 3-(aminomethyl)-3,5,5-trimethyl-1-cyclohexanamine; 2-propenoic acid; 2-propenoic acid butyl ester IUPAC Name: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; butyl prop-2-enoate; prop-2-enoic acid Traditional Name: acrylic acid; acrylic acid butyl ester; [3-(aminomethyl)-3,5,5-trimethyl-cyclohexyl]amine Formula: C20H38N2O4 MolecularWeight: 370.52672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C.CC1(CC(CC(C1)(C)CN)N)C.C=CC(=O)O

Isomeric SMILES

CCCCOC(=O)C=C.CC1(CC(CC(C1)(C)CN)N)C.C=CC(=O)O

InChI

InChI=1S/C10H22N2.C7H12O2.C3H4O2/c1-9(2)4-8(12)5-10(3,6-9)7-11;1-3-5-6-9-7(8)4-2;1-2-3(4)5/h8H,4-7,11-12H2,1-3H3;4H,2-3,5-6H2,1H3;2H,1H2,(H,4,5)