1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine

C113H279N23O24S — CID 157166219

IUPAC1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine
SMILESC.CCCN(C)C.CCN(C)C.CCN(C)CC.CN.CN(C)C.CN1CCC(S(C)(=O)=O)CC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.CNC.CNC(C)(C)C.CNC(C)C.CNCC(C)(C)O.CNCCO.CO.COCC(=O)O.COCC(C)(C)N.COCC(C)N.COCCC(=O)O.COCCC(=O)OC.COCCC(C)=O.COCCN.COCCO.COCCOC.Cn1ccnc1
InChIInChI=1S/C7H15NO2S.C6H14N2.C6H13N.C5H12N2.C5H11NO.2C5H13NO.C5H11N.3C5H13N.C5H10O3.C5H10O2.C4H6N2.C4H11NO.2C4H11N.C4H8O3.C4H10O2.2C3H9NO.C3H9N.C3H6O3.C3H8O2.C2H7N.CH5N.CH4O.CH4/c1-8-5-3-7(4-6-8)11(2,9)10;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-5(2,6)4-7-3;1-5(2,7)4-6-3;1-6-4-2-3-5-6;1-5(2,3)6-4;1-4-5-6(2)3;1-4-6(3)5-2;1-7-4-3-5(6)8-2;1-5(6)3-4-7-2;1-6-3-2-5-4-6;1-4(5)3-6-2;1-4-5(2)3;1-4(2)5-3;1-7-3-2-4(5)6;1-5-3-4-6-2;1-5-3-2-4;1-4-2-3-5;1-4(2)3;1-6-2-3(4)5;1-5-3-2-4;1-3-2;2*1-2;/h7H,3-6H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;4,6H2,1-3H3;6-7H,4H2,1-3H3;2-5H2,1H3;6H,1-4H3;2*4-5H2,1-3H3;3-4H2,1-2H3;3-4H2,1-2H3;2-4H,1H3;4H,3,5H2,1-2H3;4H2,1-3H3;4-5H,1-3H3;2-3H2,1H3,(H,5,6);3-4H2,1-2H3;2-4H2,1H3;4-5H,2-3H2,1H3;1-3H3;2H2,1H3,(H,4,5);4H,2-3H2,1H3;3H,1-2H3;2H2,1H3;2H,1H3;1H4
InChIKeyAMYDNZINLCTGGQ-UHFFFAOYSA-N
MW2376.68 g/mol
LogP5.28
Rot. Bonds33

About 1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine

1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine (PubChem CID 157166219) has the molecular formula C113H279N23O24S and a molecular weight of 2376.68 g/mol. Its IUPAC name is 1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine.

Molecular Properties

Compound Name1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine
PubChem CID157166219
Molecular FormulaC113H279N23O24S
Molecular Weight2376.68 g/mol
Exact Mass2375.10
IUPAC Name1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine
SMILESC.CCCN(C)C.CCN(C)C.CCN(C)CC.CN.CN(C)C.CN1CCC(S(C)(=O)=O)CC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.CNC.CNC(C)(C)C.CNC(C)C.CNCC(C)(C)O.CNCCO.CO.COCC(=O)O.COCC(C)(C)N.COCC(C)N.COCCC(=O)O.COCCC(=O)OC.COCCC(C)=O.COCCN.COCCO.COCCOC.Cn1ccnc1
InChIInChI=1S/C7H15NO2S.C6H14N2.C6H13N.C5H12N2.C5H11NO.2C5H13NO.C5H11N.3C5H13N.C5H10O3.C5H10O2.C4H6N2.C4H11NO.2C4H11N.C4H8O3.C4H10O2.2C3H9NO.C3H9N.C3H6O3.C3H8O2.C2H7N.CH5N.CH4O.CH4/c1-8-5-3-7(4-6-8)11(2,9)10;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-5(2,6)4-7-3;1-5(2,7)4-6-3;1-6-4-2-3-5-6;1-5(2,3)6-4;1-4-5-6(2)3;1-4-6(3)5-2;1-7-4-3-5(6)8-2;1-5(6)3-4-7-2;1-6-3-2-5-4-6;1-4(5)3-6-2;1-4-5(2)3;1-4(2)5-3;1-7-3-2-4(5)6;1-5-3-4-6-2;1-5-3-2-4;1-4-2-3-5;1-4(2)3;1-6-2-3(4)5;1-5-3-2-4;1-3-2;2*1-2;/h7H,3-6H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;4,6H2,1-3H3;6-7H,4H2,1-3H3;2-5H2,1H3;6H,1-4H3;2*4-5H2,1-3H3;3-4H2,1-2H3;3-4H2,1-2H3;2-4H,1H3;4H,3,5H2,1-2H3;4H2,1-3H3;4-5H,1-3H3;2-3H2,1H3,(H,5,6);3-4H2,1-2H3;2-4H2,1H3;4-5H,2-3H2,1H3;1-3H3;2H2,1H3,(H,4,5);4H,2-3H2,1H3;3H,1-2H3;2H2,1H3;2H,1H3;1H4
InChIKeyAMYDNZINLCTGGQ-UHFFFAOYSA-N
XLogP5.28
TPSA564.28 Ų
H-Bond Donors16
H-Bond Acceptors45
Rotatable Bonds33
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002376.68
LogP ≤ 55.28
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

1,2-dimethoxyethane;2-(dimethylamino)ethanol;3-(dimethylamino)propane-1,2-diol;N,N-dimethylmethanamine;N,N-dimethyl-2-morpholin-4-ylethanamine;1,4-dimethylpiperazine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethyl-2-pyrrolidin-1-ylethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol;bis(2-methoxy-N,N-dimethylethanamine);1-(2-methoxyethyl)piperidine;1-(2-methoxyethyl)pyrrolidine;2-methoxy-N-(2-methoxyethyl)-N-methylethanamine;1-methoxy-2-methylsulfonylethane;2-(methylamino)ethanol;N-methylmethanamine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine;N,N,N',N'-tetramethylethane-1,2-diamine
CID 158412879
1,2-dimethoxyethane;2-(dimethylamino)ethanol;3-(dimethylamino)propane-1,2-diol;N,N-dimethylmethanamine;N,N-dimethyl-2-morpholin-4-ylethanamine;1,4-dimethylpiperazine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethyl-2-pyrrolidin-1-ylethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol;2-methoxy-N,N-dimethylethanamine;4-(2-methoxyethyl)morpholine;1-(2-methoxyethyl)piperidine;1-(2-methoxyethyl)pyrrolidine;2-methoxy-N-(2-methoxyethyl)-N-methylethanamine;1-methoxypropane;2-(methylamino)ethanol;N-methylmethanamine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine;N,N,N',N'-tetramethylethane-1,2-diamine
CID 159483305
azetidine;cyclobutanamine;cyclohexanamine;cyclopropanamine;2-(dimethylamino)ethanol;N,3-dimethylbutan-1-amine;4-methoxybutan-1-ol;2-methoxyethanamine;2-methoxyethanol;4-(2-methoxyethyl)piperidine;2-methoxy-N-methylethanamine;1-methoxypiperazine;N-methylcyclopropanamine;N-methylethanamine;N-methyl-1-(oxolan-3-yl)methanamine;N-methylpentan-1-amine;1-methylpiperazine;1-methylpiperidin-4-amine;4-methylpiperidine;N-methylpropan-1-amine;oxolan-2-ylmethanol;propan-2-amine;propan-1-ol;pyridin-2-ylmethanamine;pyrrolidine
CID 158339976
1,4-dimethyl-1,4-diazepane;1,2-dimethyl-5,6-dihydro-4H-pyrimidine;1,2-dimethylhydrazine;N,N-dimethylmethanamine;N,2-dimethylpropan-2-amine;1,2-dimethylpyrrolidine;1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine;N-ethyl-N-methylethanamine;methanamine;methane;N-methoxymethanamine;1-methylazepane;1-methylazetidine;1-methylaziridine;1-methyl-1,4-diazepane;2-methyl-4,5-dihydro-1H-imidazole;N-methylethanamine;methylhydrazine;O-methylhydroxylamine;N-methylmethanamine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-[(2-methylphenyl)methyl]-4,5-dihydroimidazole;4-methylmorpholine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;5-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrrole;1-methylpiperazine;1-methylpiperidin-4-amine;bis(1-methylpiperidine);1-methylpyrrolidine;1-methylpyrrolidine-2-carboxylic acid;4-methylthiomorpholine;1,2,5-trimethylpyrrolidine
CID 157265306
2-(2-aminoethoxy)ethanol;2-(aminomethyl)propane-1,3-diol;5-aminopentan-1-ol;2-aminopropane-1,3-diol;(2S)-1-aminopropan-2-ol;3-aminopropan-1-ol;2-[3-aminopropyl(2-hydroxyethyl)amino]ethanol;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;1,4-diazepane;2,2-dimethoxyethanamine;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N',N'-dimethylpropane-1,3-diamine;ethane-1,2-diamine;3-ethylpentan-3-amine;heptane;5-(2-hydroxyethylamino)pentan-1-ol;3-imidazol-1-ylpropan-1-amine;3-(1H-imidazol-5-yl)propan-1-amine;2-methoxyethanamine;2-morpholin-4-ylethanamine;oxolan-2-ylmethanamine;2-piperidin-1-ylethanamine;propane-1,3-diamine;2-pyrrolidin-1-ylethanamine
CID 157052810
tert-butyl 2-tert-butylmorpholine-4-carboxylate;tert-butyl 3-tert-butylpiperidine-1-carboxylate;3-tert-butyl-1-cyclobutylsulfonylpiperidine;3-tert-butyl-1-cyclopropylsulfonylpiperidine;4-tert-butyl-1-ethylpiperidine;3-tert-butyl-1-ethylsulfonylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;2-tert-butylmorpholine;1-(2-tert-butylmorpholin-4-yl)ethanone;4-tert-butylpiperidine;1-(3-tert-butylpiperidin-1-yl)butan-1-one;1-(3-tert-butylpiperidin-1-yl)-3-(dimethylamino)propan-1-one;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(3-tert-butylpiperidin-1-yl)-2-methoxyethanone;1-(3-tert-butylpiperidin-1-yl)-3-methoxypropan-1-one;(3-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone;1-(3-tert-butylpiperidin-1-yl)pentan-1-one;4-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylsulfonylpiperidine;3-tert-butyl-1-propylsulfonylpiperidine
CID 167654554
1,2-dimethoxyethane;N,N-dimethylmethanamine;N,N-dimethyl-2-morpholin-4-ylethanamine;1,4-dimethylpiperazine;N,N-dimethyl-2-piperidin-1-ylethanamine;N,N-dimethyl-2-pyrrolidin-1-ylethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethylethanamine;bis(2-methoxy-N,N-dimethylethanamine);4-(2-methoxyethyl)morpholine;1-(2-methoxyethyl)piperidine;1-(2-methoxyethyl)pyrrolidine;4-(2-methoxyethyl)-1,4-thiazinane 1,1-dioxide;2-methoxy-N-(2-methoxyethyl)-N-methylethanamine;1-methoxy-2-methylsulfonylethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N',N'-trimethylpropane-1,3-diamine
CID 161131756
2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine
CID 165061734
tert-butyl 4-methylpentanoate;ethyl 2,5-dimethylhexanoate;1-ethyl-4-(2-methylpropyl)piperazine;(2S)-2-hydroxy-6-methylheptan-3-one;1-methoxy-5-methylhexane;2-methylbutane;5-methylhexan-1-ol;5-methylhexan-2-one;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-N-(2-methylpropyl)piperidin-4-amine;2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide;3-methyl-1-methylsulfonylbutane;4-methylpentanoic acid;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;1-(2-methylpropyl)piperidin-3-one
CID 157050698
cumene;N,N-diethyl-2-methoxyethanamine;N,N-diethyl-2-methylsulfonylethanamine;N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide;N,N-dimethyl-2-methylsulfonylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;4-(2-methoxyethyl)morpholine;1-(2-methoxyethyl)piperazine;1-(2-methoxyethyl)piperidine;1-(2-methoxyethyl)pyrrolidine;1-methyl-4-(2-methylsulfonylethyl)piperazine;4-(2-methylsulfonylethyl)morpholine;1-(2-methylsulfonylethyl)piperazine;1-(2-methylsulfonylethyl)piperidine;1-(2-methylsulfonylethyl)pyrrolidine
CID 160888818
N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide)
CID 157441609
CID 160666676
CID 160666676

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine?
The IUPAC name of 1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine (CID 157166219) is 1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine.
What is the SMILES notation for 1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine?
The canonical SMILES for 1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine is C.CCCN(C)C.CCN(C)C.CCN(C)CC.CN.CN(C)C.CN1CCC(S(C)(=O)=O)CC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.CNC.CNC(C)(C)C.CNC(C)C.CNCC(C)(C)O.CNCCO.CO.COCC(=O)O.COCC(C)(C)N.COCC(C)N.COCCC(=O)O.COCCC(=O)OC.COCCC(C)=O.COCCN.COCCO.COCCOC.Cn1ccnc1.
What is the InChIKey of 1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine?
The InChIKey is AMYDNZINLCTGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S.C6H14N2.C6H13N.C5H12N2.C5H11NO.2C5H13NO.C5H11N.3C5H13N.C5H10O3.C5H10O2.C4H6N2.C4H11NO.2C4H11N.C4H8O3.C4H10O2.2C3H9NO.C3H9N.C3H6O3.C3H8O2.C2H7N.CH5N.CH4O.CH4/c1-8-5-3-7(4-6-8)11(2,9)10;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-5(2,6)4-7-3;1-5(2,7)4-6-3;1-6-4-2-3-5-6;1-5(2,3)6-4;1-4-5-6(2)3;1-4-6(3)5-2;1-7-4-3-5(6)8-2;1-5(6)3-4-7-2;1-6-3-2-5-4-6;1-4(5)3-6-2;1-4-5(2)3;1-4(2)5-3;1-7-3-2-4(5)6;1-5-3-4-6-2;1-5-3-2-4;1-4-2-3-5;1-4(2)3;1-6-2-3(4)5;1-5-3-2-4;1-3-2;2*1-2;/h7H,3-6H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;4,6H2,1-3H3;6-7H,4H2,1-3H3;2-5H2,1H3;6H,1-4H3;2*4-5H2,1-3H3;3-4H2,1-2H3;3-4H2,1-2H3;2-4H,1H3;4H,3,5H2,1-2H3;4H2,1-3H3;4-5H,1-3H3;2-3H2,1H3,(H,5,6);3-4H2,1-2H3;2-4H2,1H3;4-5H,2-3H2,1H3;1-3H3;2H2,1H3,(H,4,5);4H,2-3H2,1H3;3H,1-2H3;2H2,1H3;2H,1H3;1H4.
What are the key properties of 1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine?
1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine has a molecular weight of 2376.68 g/mol, XLogP of 5.28, 33 rotatable bonds, 16 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;N,N-dimethylethanamine;N,N-dimethylmethanamine;1,4-dimethylpiperazine;N,N-dimethylpropan-1-amine;N,2-dimethylpropan-2-amine;N-ethyl-N-methylethanamine;methanamine;methane;methanol;2-methoxyacetic acid;4-methoxybutan-2-one;2-methoxyethanamine;2-methoxyethanol;1-methoxy-2-methylpropan-2-amine;1-methoxypropan-2-amine;3-methoxypropanoic acid;2-(methylamino)ethanol;1-methylimidazole;N-methylmethanamine;methyl 3-methoxypropanoate;2-methyl-1-(methylamino)propan-2-ol;1-methyl-4-methylsulfonylpiperidine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;N-methylpropan-2-amine;1-methylpyrrolidine is sourced from PubChem (CID 157166219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).