2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium

C222H394N18O36+16 — CID 158320396

IUPAC2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
SMILESCC#CC(=O)OCC[N+](CC)(CCC)CCC.CC#CC(=O)OCC[N+](CC)(CCC)CCCC.CC(=O)OC(C)C[N+](C)(C)C.CCCC[N+](CC)(CCC)CC(C)OC(C)=O.CCCC[N+](CC)(CCC)CCOC(=O)/C=C/c1ccccc1.CCCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CCC[N+](CC)(CCC)CC(C)OC(C)=O.CCC[N+](CC)(CCC)CCOC(=O)/C=C/c1ccccc1.CCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CC[N+](CC)(CC)CC(C)OC(C)=O.CC[N+](CC)(CC)CCOC(=O)/C=C/c1ccccc1.CC[N+](CC)(CC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1ccco1.C[N+](C)(C)CCOC(=O)/C=C/c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccc[nH]1.C[N+](C)(C)CCOC(=O)c1ccco1
InChIInChI=1S/C20H32NO2.C19H30NO2.C17H26NO2.C16H28NO3.C15H26NO3.C15H28NO2.C14H20NO2.C14H30NO2.C14H26NO2.C13H22N2O2.C13H22NO3.C13H28NO2.C11H24NO2.C10H16N2O2.C10H16NO3.C8H18NO2/c1-4-7-16-21(6-3,15-5-2)17-18-23-20(22)14-13-19-11-9-8-10-12-19;1-4-14-20(6-3,15-5-2)16-17-22-19(21)13-12-18-10-8-7-9-11-18;1-4-18(5-2,6-3)14-15-20-17(19)13-12-16-10-8-7-9-11-16;1-4-7-11-17(6-3,10-5-2)12-14-20-16(18)15-9-8-13-19-15;1-4-9-16(6-3,10-5-2)11-13-19-15(17)14-8-7-12-18-14;1-5-9-12-16(8-4,11-7-3)13-14-18-15(17)10-6-2;1-15(2,3)11-12-17-14(16)10-9-13-7-5-4-6-8-13;1-6-9-11-15(8-3,10-7-2)12-13(4)17-14(5)16;1-5-9-14(16)17-13-12-15(8-4,10-6-2)11-7-3;1-4-15(5-2,6-3)10-11-17-13(16)12-8-7-9-14-12;1-4-14(5-2,6-3)9-11-17-13(15)12-8-7-10-16-12;1-6-9-14(8-3,10-7-2)11-12(4)16-13(5)15;1-6-12(7-2,8-3)9-10(4)14-11(5)13;1-12(2,3)7-8-14-10(13)9-5-4-6-11-9;1-11(2,3)6-8-14-10(12)9-5-4-7-13-9;1-7(11-8(2)10)6-9(3,4)5/h8-14H,4-7,15-18H2,1-3H3;7-13H,4-6,14-17H2,1-3H3;7-13H,4-6,14-15H2,1-3H3;8-9,13H,4-7,10-12,14H2,1-3H3;7-8,12H,4-6,9-11,13H2,1-3H3;5,7-9,11-14H2,1-4H3;4-10H,11-12H2,1-3H3;13H,6-12H2,1-5H3;6-8,10-13H2,1-4H3;7-9H,4-6,10-11H2,1-3H3;7-8,10H,4-6,9,11H2,1-3H3;12H,6-11H2,1-5H3;10H,6-9H2,1-5H3;4-6H,7-8H2,1-3H3;4-5,7H,6,8H2,1-3H3;7H,6H2,1-5H3/q9*+1;;3*+1;;2*+1/p+2/b14-13+;2*13-12+;;;;10-9+;;;;;;;;;
InChIKeyGOTUOMJYPQLVTA-SMWYZWRVSA-P
MW3891.68 g/mol
LogP39.06
Rot. Bonds118

About 2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium

2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium (PubChem CID 158320396) has the molecular formula C222H394N18O36+16 and a molecular weight of 3891.68 g/mol. Its IUPAC name is 2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium.

Molecular Properties

Compound Name2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
PubChem CID158320396
Molecular FormulaC222H394N18O36+16
Molecular Weight3891.68 g/mol
Exact Mass3888.95
IUPAC Name2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
SMILESCC#CC(=O)OCC[N+](CC)(CCC)CCC.CC#CC(=O)OCC[N+](CC)(CCC)CCCC.CC(=O)OC(C)C[N+](C)(C)C.CCCC[N+](CC)(CCC)CC(C)OC(C)=O.CCCC[N+](CC)(CCC)CCOC(=O)/C=C/c1ccccc1.CCCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CCC[N+](CC)(CCC)CC(C)OC(C)=O.CCC[N+](CC)(CCC)CCOC(=O)/C=C/c1ccccc1.CCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CC[N+](CC)(CC)CC(C)OC(C)=O.CC[N+](CC)(CC)CCOC(=O)/C=C/c1ccccc1.CC[N+](CC)(CC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1ccco1.C[N+](C)(C)CCOC(=O)/C=C/c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccc[nH]1.C[N+](C)(C)CCOC(=O)c1ccco1
InChIInChI=1S/C20H32NO2.C19H30NO2.C17H26NO2.C16H28NO3.C15H26NO3.C15H28NO2.C14H20NO2.C14H30NO2.C14H26NO2.C13H22N2O2.C13H22NO3.C13H28NO2.C11H24NO2.C10H16N2O2.C10H16NO3.C8H18NO2/c1-4-7-16-21(6-3,15-5-2)17-18-23-20(22)14-13-19-11-9-8-10-12-19;1-4-14-20(6-3,15-5-2)16-17-22-19(21)13-12-18-10-8-7-9-11-18;1-4-18(5-2,6-3)14-15-20-17(19)13-12-16-10-8-7-9-11-16;1-4-7-11-17(6-3,10-5-2)12-14-20-16(18)15-9-8-13-19-15;1-4-9-16(6-3,10-5-2)11-13-19-15(17)14-8-7-12-18-14;1-5-9-12-16(8-4,11-7-3)13-14-18-15(17)10-6-2;1-15(2,3)11-12-17-14(16)10-9-13-7-5-4-6-8-13;1-6-9-11-15(8-3,10-7-2)12-13(4)17-14(5)16;1-5-9-14(16)17-13-12-15(8-4,10-6-2)11-7-3;1-4-15(5-2,6-3)10-11-17-13(16)12-8-7-9-14-12;1-4-14(5-2,6-3)9-11-17-13(15)12-8-7-10-16-12;1-6-9-14(8-3,10-7-2)11-12(4)16-13(5)15;1-6-12(7-2,8-3)9-10(4)14-11(5)13;1-12(2,3)7-8-14-10(13)9-5-4-6-11-9;1-11(2,3)6-8-14-10(12)9-5-4-7-13-9;1-7(11-8(2)10)6-9(3,4)5/h8-14H,4-7,15-18H2,1-3H3;7-13H,4-6,14-17H2,1-3H3;7-13H,4-6,14-15H2,1-3H3;8-9,13H,4-7,10-12,14H2,1-3H3;7-8,12H,4-6,9-11,13H2,1-3H3;5,7-9,11-14H2,1-4H3;4-10H,11-12H2,1-3H3;13H,6-12H2,1-5H3;6-8,10-13H2,1-4H3;7-9H,4-6,10-11H2,1-3H3;7-8,10H,4-6,9,11H2,1-3H3;12H,6-11H2,1-5H3;10H,6-9H2,1-5H3;4-6H,7-8H2,1-3H3;4-5,7H,6,8H2,1-3H3;7H,6H2,1-5H3/q9*+1;;3*+1;;2*+1/p+2/b14-13+;2*13-12+;;;;10-9+;;;;;;;;;
InChIKeyGOTUOMJYPQLVTA-SMWYZWRVSA-P
XLogP39.06
TPSA504.94 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds118
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003891.68
LogP ≤ 539.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium with MolForge

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Related Compounds

butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
CID 157263650
1-(5-acetylfuran-3-yl)-4,4-dimethylpent-1-yn-3-one;1-(5-acetyl-1H-pyrrol-3-yl)-4,4-dimethylpent-1-yn-3-one;N-(4-aminophenyl)-4-(4,4-dimethyl-3-oxopent-1-ynyl)-1H-pyrrole-2-carboxamide;4-(4,4-dimethyl-3-oxopent-1-ynyl)-N-(4-methylphenyl)furan-2-carboxamide
CID 157275840
butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
CID 157574887
1-(5-acetylfuran-3-yl)-4,4-dimethylpent-1-yn-3-one;1-(5-acetyl-1H-pyrrol-3-yl)-4,4-dimethylpent-1-yn-3-one;N-(4-aminophenyl)-4-(4,4-dimethyl-3-oxopent-1-ynyl)furan-2-carboxamide;N-(4-aminophenyl)-4-(4,4-dimethyl-3-oxopent-1-ynyl)-1H-pyrrole-2-carboxamide;methane
CID 157642493
1-(5-acetylfuran-3-yl)-4,4-dimethylpent-1-yn-3-one;1-(5-acetyl-1H-pyrrol-3-yl)-4,4-dimethylpent-1-yn-3-one;N-(4-aminophenyl)-4-(4,4-dimethyl-3-oxopent-1-ynyl)furan-2-carboxamide;N-(4-aminophenyl)-4-(4,4-dimethyl-3-oxopent-1-ynyl)-1H-pyrrole-2-carboxamide
CID 158399394
butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
CID 159898558
butan-2-yl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butan-2-yl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
CID 160485542
butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
CID 161046973
butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium
CID 161129032
butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
CID 161769046
butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
CID 162007123
butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
CID 165020778

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium?
The IUPAC name of 2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium (CID 158320396) is 2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium.
What is the SMILES notation for 2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium?
The canonical SMILES for 2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium is CC#CC(=O)OCC[N+](CC)(CCC)CCC.CC#CC(=O)OCC[N+](CC)(CCC)CCCC.CC(=O)OC(C)C[N+](C)(C)C.CCCC[N+](CC)(CCC)CC(C)OC(C)=O.CCCC[N+](CC)(CCC)CCOC(=O)/C=C/c1ccccc1.CCCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CCC[N+](CC)(CCC)CC(C)OC(C)=O.CCC[N+](CC)(CCC)CCOC(=O)/C=C/c1ccccc1.CCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CC[N+](CC)(CC)CC(C)OC(C)=O.CC[N+](CC)(CC)CCOC(=O)/C=C/c1ccccc1.CC[N+](CC)(CC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1ccco1.C[N+](C)(C)CCOC(=O)/C=C/c1ccccc1.C[N+](C)(C)CCOC(=O)c1ccc[nH]1.C[N+](C)(C)CCOC(=O)c1ccco1.
What is the InChIKey of 2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium?
The InChIKey is GOTUOMJYPQLVTA-SMWYZWRVSA-P. The full InChI is InChI=1S/C20H32NO2.C19H30NO2.C17H26NO2.C16H28NO3.C15H26NO3.C15H28NO2.C14H20NO2.C14H30NO2.C14H26NO2.C13H22N2O2.C13H22NO3.C13H28NO2.C11H24NO2.C10H16N2O2.C10H16NO3.C8H18NO2/c1-4-7-16-21(6-3,15-5-2)17-18-23-20(22)14-13-19-11-9-8-10-12-19;1-4-14-20(6-3,15-5-2)16-17-22-19(21)13-12-18-10-8-7-9-11-18;1-4-18(5-2,6-3)14-15-20-17(19)13-12-16-10-8-7-9-11-16;1-4-7-11-17(6-3,10-5-2)12-14-20-16(18)15-9-8-13-19-15;1-4-9-16(6-3,10-5-2)11-13-19-15(17)14-8-7-12-18-14;1-5-9-12-16(8-4,11-7-3)13-14-18-15(17)10-6-2;1-15(2,3)11-12-17-14(16)10-9-13-7-5-4-6-8-13;1-6-9-11-15(8-3,10-7-2)12-13(4)17-14(5)16;1-5-9-14(16)17-13-12-15(8-4,10-6-2)11-7-3;1-4-15(5-2,6-3)10-11-17-13(16)12-8-7-9-14-12;1-4-14(5-2,6-3)9-11-17-13(15)12-8-7-10-16-12;1-6-9-14(8-3,10-7-2)11-12(4)16-13(5)15;1-6-12(7-2,8-3)9-10(4)14-11(5)13;1-12(2,3)7-8-14-10(13)9-5-4-6-11-9;1-11(2,3)6-8-14-10(12)9-5-4-7-13-9;1-7(11-8(2)10)6-9(3,4)5/h8-14H,4-7,15-18H2,1-3H3;7-13H,4-6,14-17H2,1-3H3;7-13H,4-6,14-15H2,1-3H3;8-9,13H,4-7,10-12,14H2,1-3H3;7-8,12H,4-6,9-11,13H2,1-3H3;5,7-9,11-14H2,1-4H3;4-10H,11-12H2,1-3H3;13H,6-12H2,1-5H3;6-8,10-13H2,1-4H3;7-9H,4-6,10-11H2,1-3H3;7-8,10H,4-6,9,11H2,1-3H3;12H,6-11H2,1-5H3;10H,6-9H2,1-5H3;4-6H,7-8H2,1-3H3;4-5,7H,6,8H2,1-3H3;7H,6H2,1-5H3/q9*+1;;3*+1;;2*+1/p+2/b14-13+;2*13-12+;;;;10-9+;;;;;;;;;.
What are the key properties of 2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium?
2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium has a molecular weight of 3891.68 g/mol, XLogP of 39.06, 118 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxypropyl-butyl-ethyl-propylazanium;2-acetyloxypropyl-ethyl-dipropylazanium;2-acetyloxypropyl(triethyl)azanium;2-acetyloxypropyl(trimethyl)azanium;butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-propylazanium;2-but-2-ynoyloxyethyl-ethyl-dipropylazanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;ethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium is sourced from PubChem (CID 158320396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).