3-(3-azanylcyclohexyl)propane-1-sulfonic acid; cyclohexanecarboxamide; 1-cyclohexylpropane-1,3-diamine

Systemtic Name: 3-(3-azanylcyclohexyl)propane-1-sulfonic acid; cyclohexanecarboxamide; 1-cyclohexylpropane-1,3-diamine Openeye Name: 3-(3-aminocyclohexyl)propane-1-sulfonic acid; cyclohexanecarboxamide; 1-cyclohexylpropane-1,3-diamine CAS Name: 3-(3-aminocyclohexyl)-1-propanesulfonic acid; cyclohexanecarboxamide; 1-cyclohexylpropane-1,3-diamine IUPAC Name: 3-(3-aminocyclohexyl)propane-1-sulfonic acid; cyclohexanecarboxamide; 1-cyclohexylpropane-1,3-diamine Traditional Name: 3-(3-aminocyclohexyl)propane-1-sulfonic acid; (3-amino-1-cyclohexyl-propyl)amine; cyclohexanecarboxamide Formula: C25H52N4O4S MolecularWeight: 504.76978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CCN)N.C1CCC(CC1)C(=O)N.C1CC(CC(C1)N)CCCS(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)C(CCN)N.C1CCC(CC1)C(=O)N.C1CC(CC(C1)N)CCCS(=O)(=O)O

InChI

InChI=1S/C9H20N2.C9H19NO3S.C7H13NO/c10-7-6-9(11)8-4-2-1-3-5-8;10-9-5-1-3-8(7-9)4-2-6-14(11,12)13;8-7(9)6-4-2-1-3-5-6/h8-9H,1-7,10-11H2;8-9H,1-7,10H2,(H,11,12,13);6H,1-5H2,(H2,8,9)