1.0 2010-04-08 22:10:12 UTC 2020-09-17 15:30:49 UTC FDB012495 2-Methyl-1-propylamine 2-Methyl-1-propylamine, also known as isobutylamine or valamine, belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing a primary aliphatic amine group. 2-Methyl-1-propylamine is a strong basic compound. 2-Methyl-1-propylamine is a clear, colorless liquid with a cheesy and fishy taste. 2-Methyl-1-propylamine exists in all living organisms, from bacteria to humans. 2-Methyl-1-propylamine has been detected in black elderberries, common grapes, and French plantains. This could make 2-methyl-1-propylamine a potential biomarker for the consumption of these foods. 1-Amino-2-methylpropane 1-Propanamine, 2-methyl- 2-Methyl-1-Aminopropane 2-Methyl-1-propanamine 2-Methyl-1-propanamine, 9CI 2-methylpropan-1-amine 2-Methylpropanamine 2-Methylpropylamine 3-Methyl-2-propylamine I-butylamine Iso-butylamine Iso-C4H9NH2 Isobutylamine Isobutylamine, 8CI Monoisobutylamine Valamine Valamine? C4H11N 73.1368 73.089149357 2-methylpropan-1-amine isobutylamine 78-81-9 CC(C)CN InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3 KDSNLYIMUZNERS-UHFFFAOYSA-N belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. Monoalkylamines Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aliphatic acyclic compounds Hydrocarbon derivatives Organopnictogen compounds Aliphatic acyclic compound Hydrocarbon derivative Organopnictogen compound Primary aliphatic amine a small molecule alkylamines logp 0.54 ALOGPS logs 0.07 ALOGPS solubility 8.55e+01 g/l ALOGPS melting_point Fp -84.6° logp 0.62 ChemAxon pka_strongest_basic 10.24 ChemAxon iupac 2-methylpropan-1-amine ChemAxon average_mass 73.1368 ChemAxon mono_mass 73.089149357 ChemAxon smiles CC(C)CN ChemAxon formula C4H11N ChemAxon inchi InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3 ChemAxon inchikey KDSNLYIMUZNERS-UHFFFAOYSA-N ChemAxon polar_surface_area 26.02 ChemAxon refractivity 23.66 ChemAxon polarizability 9.51 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6467 Specdb::MsIr 6468 Specdb::MsIr 6469 Specdb::CMs 15385 Specdb::CMs 26798 Specdb::CMs 27913 Specdb::CMs 29404 Specdb::CMs 30578 Specdb::CMs 101559 Specdb::CMs 101560 Specdb::CMs 101561 Specdb::CMs 101562 Specdb::CMs 151148 Specdb::MsMs 27191 Specdb::MsMs 27192 Specdb::MsMs 27193 Specdb::MsMs 33749 Specdb::MsMs 33750 Specdb::MsMs 33751 Specdb::MsMs 1470843 Specdb::MsMs 1470867 Specdb::MsMs 2232571 Specdb::MsMs 2722584 Specdb::MsMs 2722585 Specdb::MsMs 2722586 Specdb::MsMs 2960103 Specdb::MsMs 2960104 Specdb::MsMs 2960105 Specdb::NmrOneD 287195 Specdb::NmrOneD 287196 Specdb::NmrOneD 287197 Specdb::NmrOneD 287198 Specdb::NmrOneD 287199 Specdb::NmrOneD 287200 Specdb::NmrOneD 287201 Specdb::NmrOneD 287202 Specdb::NmrOneD 287203 Specdb::NmrOneD 287204 Specdb::NmrOneD 287205 Specdb::NmrOneD 287206 Specdb::NmrOneD 287207 Specdb::NmrOneD 287208 Specdb::NmrOneD 287209 Specdb::NmrOneD 287210 Specdb::NmrOneD 287211 Specdb::NmrOneD 287212 Specdb::NmrOneD 287213 Specdb::NmrOneD 287214 HMDB34198 15997 IBN #<Reference:0x000055ce31e1ab68> #<Reference:0x000055ce31e1a9b0> #<Reference:0x000055ce31e1a7f8> #<Reference:0x000055ce31e1a640> #<Reference:0x000055ce31e1a488> #<Reference:0x000055ce31e1a2d0> #<Reference:0x000055ce31e1a118> #<Reference:0x000055ce31e19f60> #<Reference:0x000055ce31e19da8> #<Reference:0x000055ce31e19ba0> #<Reference:0x000055ce31e199e8> #<Reference:0x000055ce31e19808> #<Reference:0x000055ce31e19650> #<Reference:0x000055ce31e19470> #<Reference:0x000055ce31e19290> #<Reference:0x000055ce31e190b0> #<Reference:0x000055ce31e18ed0> #<Reference:0x000055ce31e18d18> Beer Type 2 specific 0.112 0.112 0.112 mg/100 g Black elderberry Type 1 specific Sambucus nigra 4202 Common grape Type 1 specific Vitis vinifera 29760 French plantain Type 1 specific Musa X paradisiaca 89151 Red wine Type 2 0.07 0.07 0.07 mg/100 g White wine Type 2 0.035 0.05 0.02 mg/100 g cheesy fishy