1.0 2010-04-08 22:05:14 UTC 2025-11-18 22:34:58 UTC FDB002108 Herculin Isolated from Zanthoxylum clava-herculis (Hercules' club). Herculin is found in herbs and spices. Herculin N-Isobutyl-2,8-dodecadienamide C16H29NO 251.4076 251.224914555 (Z,2E,8E)-N-(2-methylpropyl)dodeca-2,8-dienimidic acid (Z,2E,8E)-N-(2-methylpropyl)dodeca-2,8-dienimidic acid CCC\C=C\CCCC\C=C\C(\O)=N\CC(C)C InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,17,18)/b7-6+,13-12+ JNPRQUIWDVDHIT-GYIPPJPDSA-N belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. N-acyl amines Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty amides Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide logp 5.85 ALOGPS logs -5.47 ALOGPS solubility 8.50e-04 g/l ALOGPS melting_point Mp 59-60° logp 5.59 ChemAxon pka_strongest_acidic 8.69 ChemAxon pka_strongest_basic 6.02 ChemAxon iupac (Z,2E,8E)-N-(2-methylpropyl)dodeca-2,8-dienimidic acid ChemAxon average_mass 251.4076 ChemAxon mono_mass 251.224914555 ChemAxon smiles CCC\C=C\CCCC\C=C\C(\O)=N\CC(C)C ChemAxon formula C16H29NO ChemAxon inchi InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,17,18)/b7-6+,13-12+ ChemAxon inchikey JNPRQUIWDVDHIT-GYIPPJPDSA-N ChemAxon polar_surface_area 32.59 ChemAxon refractivity 81.87 ChemAxon polarizability 33.06 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13076 Specdb::CMs 41854 Specdb::CMs 133895 Specdb::CMs 141629 Specdb::MsMs 65022 Specdb::MsMs 65023 Specdb::MsMs 65024 Specdb::MsMs 122337 Specdb::MsMs 122338 Specdb::MsMs 122339 Specdb::MsMs 2771588 Specdb::MsMs 2771589 Specdb::MsMs 2771590 Specdb::MsMs 2909876 Specdb::MsMs 2909877 Specdb::MsMs 2909878 HMDB30275 #<Reference:0x000055ce3195ec78> Herbs and Spices Unknown generic