1.0 2010-04-08 22:14:33 UTC 2019-11-26 03:17:48 UTC FDB019736 1-[(5-Methyl-2-furanyl)methyl]pyrrolidine Proline-derived Maillard product. Constituent of roasted, dried squid aroma. 1-[(5-Methyl-2-furanyl)methyl]pyrrolidine is found in mollusks. 1-(5-Methylfurfuryl)pyrrolidine 5-Methyl-2-(N-pyrrolidinomethyl)furan C10H15NO 165.2322 165.115364107 1-[(5-methylfuran-2-yl)methyl]pyrrolidine 1-[(5-methylfuran-2-yl)methyl]pyrrolidine 61480-99-7 CC1=CC=C(CN2CCCC2)O1 InChI=1S/C10H15NO/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h4-5H,2-3,6-8H2,1H3 IETSEKPJTAMXGM-UHFFFAOYSA-N belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. Aralkylamines Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aromatic heteromonocyclic compounds Azacyclic compounds Furans Heteroaromatic compounds Hydrocarbon derivatives N-alkylpyrrolidines Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Trialkylamines Aralkylamine Aromatic heteromonocyclic compound Azacycle Furan Heteroaromatic compound Hydrocarbon derivative N-alkylpyrrolidine Organic oxygen compound Organoheterocyclic compound Organooxygen compound Organopnictogen compound Oxacycle Pyrrolidine Tertiary aliphatic amine Tertiary amine logp 1.98 ALOGPS logs -1.60 ALOGPS solubility 4.14e+00 g/l ALOGPS logp 1.58 ChemAxon pka_strongest_basic 8.89 ChemAxon iupac 1-[(5-methylfuran-2-yl)methyl]pyrrolidine ChemAxon average_mass 165.2322 ChemAxon mono_mass 165.115364107 ChemAxon smiles CC1=CC=C(CN2CCCC2)O1 ChemAxon formula C10H15NO ChemAxon inchi InChI=1S/C10H15NO/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h4-5H,2-3,6-8H2,1H3 ChemAxon inchikey IETSEKPJTAMXGM-UHFFFAOYSA-N ChemAxon polar_surface_area 16.38 ChemAxon refractivity 49.68 ChemAxon polarizability 19.36 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8552 Specdb::MsIr 8553 Specdb::MsMs 295246 Specdb::MsMs 295247 Specdb::MsMs 295248 Specdb::MsMs 336211 Specdb::MsMs 336212 Specdb::MsMs 336213 Specdb::MsMs 2694276 Specdb::MsMs 2694277 Specdb::MsMs 2694278 Specdb::MsMs 2987130 Specdb::MsMs 2987131 Specdb::MsMs 2987132 Specdb::CMs 13293 Specdb::CMs 146996 Specdb::NmrOneD 38162 Specdb::NmrOneD 38163 Specdb::NmrOneD 38164 Specdb::NmrOneD 38165 Specdb::NmrOneD 38166 Specdb::NmrOneD 38167 Specdb::NmrOneD 38168 Specdb::NmrOneD 38169 Specdb::NmrOneD 38170 Specdb::NmrOneD 38171 Specdb::NmrOneD 38172 Specdb::NmrOneD 38173 Specdb::NmrOneD 38174 Specdb::NmrOneD 38175 Specdb::NmrOneD 38176 Specdb::NmrOneD 38177 Specdb::NmrOneD 38178 Specdb::NmrOneD 38179 Specdb::NmrOneD 38180 Specdb::NmrOneD 38181 HMDB40049 #<Reference:0x000055ce32165fc0> Mollusks Unknown generic 6447