3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; 4-methylbenzenesulfonic acid

Systemtic Name: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; 4-methylbenzenesulfonic acid Openeye Name: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexanamine; 4-methylbenzenesulfonic acid CAS Name: 3-(aminomethyl)-3,5,5-trimethyl-1-cyclohexanamine; 4-methylbenzenesulfonic acid IUPAC Name: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; 4-methylbenzenesulfonic acid Traditional Name: [3-(aminomethyl)-3,5,5-trimethyl-cyclohexyl]amine; tosylic acid Formula: C17H30N2O3S MolecularWeight: 342.4967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H22N2.C7H8O3S/c1-9(2)4-8(12)5-10(3,6-9)7-11;1-6-2-4-7(5-3-6)11(8,9)10/h8H,4-7,11-12H2,1-3H3;2-5H,1H3,(H,8,9,10)