1.0 2011-09-21 00:12:51 UTC 2015-07-21 06:57:10 UTC FDB022367 N-Methylnicotinium A nicotine degradation product arising from its methylation by S-adenosylmethionine (and subsequent conversion to S-adnonsylcysteine). [HMDB] 1-methyl-3-(1-methyl-2-pyrrolidinyl)-Pyridinium N-Methylnicotinium N-Methylnicotinium acetate N-methylnicotinium ion Nicotine isomethiodide Nicotine isomethonium ion C11H17N2 177.2661 177.139173554 1-methyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium nicotine isomethonium ion 24554-05-0 CN1CCCC1C1=CC=C[N+](C)=C1 InChI=1S/C11H17N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1 HIOROZIUERMMRQ-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolidinylpyridines. Pyrrolidinylpyridines are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring. Pyrrolidinylpyridines Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyrrolidinylpyridines Aromatic heteromonocyclic compounds Alkaloids and derivatives Aralkylamines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives N-alkylpyrrolidines N-methylpyridinium compounds Organic cations Organopnictogen compounds Pyridinium derivatives Trialkylamines Alkaloid or derivatives Amine Aralkylamine Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative N-alkylpyrrolidine N-methylpyridinium Organic cation Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyridinium Pyrrolidine Pyrrolidinylpyridine Tertiary aliphatic amine Tertiary amine Solid logp -3.01 ALOGPS logs -3.18 ALOGPS solubility 1.42e-01 g/l ALOGPS logp -2.8 ChemAxon pka_strongest_basic 8.04 ChemAxon iupac 1-methyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium ChemAxon average_mass 177.2661 ChemAxon mono_mass 177.139173554 ChemAxon smiles CN1CCCC1C1=CC=C[N+](C)=C1 ChemAxon formula C11H17N2 ChemAxon inchi InChI=1S/C11H17N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1 ChemAxon inchikey HIOROZIUERMMRQ-UHFFFAOYSA-N ChemAxon polar_surface_area 7.12 ChemAxon refractivity 55.81 ChemAxon polarizability 21.01 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 2 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 22432 Specdb::CMs 150218 Specdb::NmrOneD 146010 Specdb::NmrOneD 146011 Specdb::NmrOneD 146012 Specdb::NmrOneD 146013 Specdb::NmrOneD 146014 Specdb::NmrOneD 146015 Specdb::NmrOneD 146016 Specdb::NmrOneD 146017 Specdb::NmrOneD 146018 Specdb::NmrOneD 146019 Specdb::NmrOneD 146020 Specdb::NmrOneD 146021 Specdb::NmrOneD 146022 Specdb::NmrOneD 146023 Specdb::NmrOneD 146024 Specdb::NmrOneD 146025 Specdb::NmrOneD 146026 Specdb::NmrOneD 146027 Specdb::NmrOneD 146028 Specdb::NmrOneD 146029 Specdb::MsMs 109497 Specdb::MsMs 109498 Specdb::MsMs 109499 Specdb::MsMs 176946 Specdb::MsMs 176947 Specdb::MsMs 176948 Specdb::MsMs 2915840 Specdb::MsMs 2915841 Specdb::MsMs 2915842 HMDB01009 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823