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

C212H359N20O34S4+15 — CID 161129032

IUPACbutyl-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
SMILESCCCC[N+](CC)(CCC)CCOC(=O)/C=C/c1ccccc1.CCCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CCCC[N+](CC)(CCC)CCOC(=O)c1cccs1.CCC[N+](CC)(CCC)CCOC(=O)/C=C/c1ccccc1.CCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CCC[N+](CC)(CCC)CCOC(=O)c1cccs1.CC[N+](CC)(CC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1ccco1.CC[N+](CC)(CC)CCOC(=O)c1cccs1.C[N+](C)(C)CCOC(=O)c1ccc[nH]1.C[N+](C)(C)CCOC(=O)c1ccco1.C[N+](C)(C)CCOC(=O)c1cccs1.C[N+](C)(C)CCOC(=O)c1ccncc1
InChIInChI=1S/C20H32NO2.C19H30NO2.C16H28N2O2.C16H28NO3.C16H28NO2S.C15H26N2O2.C15H26NO3.C15H26NO2S.C13H22N2O2.C13H22NO3.C13H22NO2S.C11H17N2O2.C10H16N2O2.C10H16NO3.C10H16NO2S/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;1-4-7-12-18(6-3,11-5-2)13-14-20-16(19)15-9-8-10-17-15;1-4-7-11-17(6-3,10-5-2)12-14-20-16(18)15-9-8-13-19-15;1-4-7-11-17(6-3,10-5-2)12-13-19-16(18)15-9-8-14-20-15;1-4-10-17(6-3,11-5-2)12-13-19-15(18)14-8-7-9-16-14;1-4-9-16(6-3,10-5-2)11-13-19-15(17)14-8-7-12-18-14;1-4-9-16(6-3,10-5-2)11-12-18-15(17)14-8-7-13-19-14;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;1-4-14(5-2,6-3)9-10-16-13(15)12-8-7-11-17-12;1-13(2,3)8-9-15-11(14)10-4-6-12-7-5-10;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;1-11(2,3)6-7-13-10(12)9-5-4-8-14-9/h8-14H,4-7,15-18H2,1-3H3;7-13H,4-6,14-17H2,1-3H3;8-10H,4-7,11-14H2,1-3H3;8-9,13H,4-7,10-12,14H2,1-3H3;8-9,14H,4-7,10-13H2,1-3H3;7-9H,4-6,10-13H2,1-3H3;7-8,12H,4-6,9-11,13H2,1-3H3;7-8,13H,4-6,9-12H2,1-3H3;7-9H,4-6,10-11H2,1-3H3;7-8,10H,4-6,9,11H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;4-7H,8-9H2,1-3H3;4-6H,7-8H2,1-3H3;4-5,7H,6,8H2,1-3H3;4-5,8H,6-7H2,1-3H3/q2*+1;;2*+1;;2*+1;;3*+1;;2*+1/p+4/b14-13+;13-12+;;;;;;;;;;;;;
InChIKeyULYBNAGDAALAJU-ZSBANLSPSA-R
MW3860.58 g/mol
LogP40.04
Rot. Bonds115

About 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

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 (PubChem CID 161129032) has the molecular formula C212H359N20O34S4+15 and a molecular weight of 3860.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebutyl-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
PubChem CID161129032
Molecular FormulaC212H359N20O34S4+15
Molecular Weight3860.58 g/mol
Exact Mass3857.58
IUPAC Namebutyl-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
SMILESCCCC[N+](CC)(CCC)CCOC(=O)/C=C/c1ccccc1.CCCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CCCC[N+](CC)(CCC)CCOC(=O)c1cccs1.CCC[N+](CC)(CCC)CCOC(=O)/C=C/c1ccccc1.CCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CCC[N+](CC)(CCC)CCOC(=O)c1cccs1.CC[N+](CC)(CC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1ccco1.CC[N+](CC)(CC)CCOC(=O)c1cccs1.C[N+](C)(C)CCOC(=O)c1ccc[nH]1.C[N+](C)(C)CCOC(=O)c1ccco1.C[N+](C)(C)CCOC(=O)c1cccs1.C[N+](C)(C)CCOC(=O)c1ccncc1
InChIInChI=1S/C20H32NO2.C19H30NO2.C16H28N2O2.C16H28NO3.C16H28NO2S.C15H26N2O2.C15H26NO3.C15H26NO2S.C13H22N2O2.C13H22NO3.C13H22NO2S.C11H17N2O2.C10H16N2O2.C10H16NO3.C10H16NO2S/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;1-4-7-12-18(6-3,11-5-2)13-14-20-16(19)15-9-8-10-17-15;1-4-7-11-17(6-3,10-5-2)12-14-20-16(18)15-9-8-13-19-15;1-4-7-11-17(6-3,10-5-2)12-13-19-16(18)15-9-8-14-20-15;1-4-10-17(6-3,11-5-2)12-13-19-15(18)14-8-7-9-16-14;1-4-9-16(6-3,10-5-2)11-13-19-15(17)14-8-7-12-18-14;1-4-9-16(6-3,10-5-2)11-12-18-15(17)14-8-7-13-19-14;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;1-4-14(5-2,6-3)9-10-16-13(15)12-8-7-11-17-12;1-13(2,3)8-9-15-11(14)10-4-6-12-7-5-10;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;1-11(2,3)6-7-13-10(12)9-5-4-8-14-9/h8-14H,4-7,15-18H2,1-3H3;7-13H,4-6,14-17H2,1-3H3;8-10H,4-7,11-14H2,1-3H3;8-9,13H,4-7,10-12,14H2,1-3H3;8-9,14H,4-7,10-13H2,1-3H3;7-9H,4-6,10-13H2,1-3H3;7-8,12H,4-6,9-11,13H2,1-3H3;7-8,13H,4-6,9-12H2,1-3H3;7-9H,4-6,10-11H2,1-3H3;7-8,10H,4-6,9,11H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;4-7H,8-9H2,1-3H3;4-6H,7-8H2,1-3H3;4-5,7H,6,8H2,1-3H3;4-5,8H,6-7H2,1-3H3/q2*+1;;2*+1;;2*+1;;3*+1;;2*+1/p+4/b14-13+;13-12+;;;;;;;;;;;;;
InChIKeyULYBNAGDAALAJU-ZSBANLSPSA-R
XLogP40.04
TPSA523.11 Ų
H-Bond Donors4
H-Bond Acceptors39
Rotatable Bonds115
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003860.58
LogP ≤ 540.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-(3-cyano-4-ethyl-5-methylfuran-2-yl)furan-2-carboxamide;(3-cyano-4-ethyl-5-methylfuran-2-yl) furan-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1H-pyrrole-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) 1H-pyrrole-2-carboxylate;N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)thiophene-2-carboxamide;(3-cyano-4-ethyl-5-methylthiophen-2-yl) thiophene-2-carboxylate
CID 157177822
2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one
CID 157277033
tert-butyl 2-(5-methoxycarbonyl-1H-pyrrol-3-yl)pyrrole-1-carboxylate;ethane;1-(furan-2-yl)-N-methylmethanamine;methyl 3-acetamidocyclopenta-1,3-diene-1-carboxylate;methyl 5-acetyloxy-1-hydroxypyrrole-2-carboxylate;methyl 1-(2-methylpropanoyl)pyrrole-2-carboxylate;methyl 3-pyridin-3-ylcyclopenta-1,3-diene-1-carboxylate;methyl 4-thiophen-3-yl-1H-pyrrole-2-carboxylate;methyl 3,4,5-tri(thiophen-3-yl)-1H-pyrrole-2-carboxylate;propan-2-yl 3-benzamidocyclopenta-1,3-diene-1-carboxylate
CID 157856861
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
ethane;2-methylfuran;bis(3-methylfuran);2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
CID 158574658
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
CID 158720093
butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(pyridine-4-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;butyl-ethyl-propyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(pyridine-4-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;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;methane;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(pyridine-4-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 158740029
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
CID 159006114
2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one
CID 159431038
ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
CID 159536087
benzyl 3-methylbutanoate;ethane;1-(furan-2-yl)ethyl 3-methylbutanoate;furan-2-ylmethyl 3-methylbutanoate;2-(furan-2-yl)propan-2-yl 3-methylbutanoate;N-methoxy-5-methylhexan-3-imine;N-(5-methylhexan-3-ylidene)hydroxylamine;1-phenylethyl 3-methylbutanoate;2-phenylpropan-2-yl 3-methylbutanoate;1-(1H-pyrrol-2-yl)ethyl 3-methylbutanoate;1H-pyrrol-2-ylmethyl 3-methylbutanoate;1-thiophen-2-ylethyl 3-methylbutanoate;thiophen-2-ylmethyl 3-methylbutanoate;2-thiophen-2-ylpropan-2-yl 3-methylbutanoate
CID 159622765
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;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium
CID 159644202

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC[N+](CC)(CCC)CCOC(=O)/C=C/c1ccccc1.CCCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CCCC[N+](CC)(CCC)CCOC(=O)c1cccs1.CCC[N+](CC)(CCC)CCOC(=O)/C=C/c1ccccc1.CCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CCC[N+](CC)(CCC)CCOC(=O)c1cccs1.CC[N+](CC)(CC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1ccco1.CC[N+](CC)(CC)CCOC(=O)c1cccs1.C[N+](C)(C)CCOC(=O)c1ccc[nH]1.C[N+](C)(C)CCOC(=O)c1ccco1.C[N+](C)(C)CCOC(=O)c1cccs1.C[N+](C)(C)CCOC(=O)c1ccncc1.
What is the InChIKey of 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?
The InChIKey is ULYBNAGDAALAJU-ZSBANLSPSA-R. The full InChI is InChI=1S/C20H32NO2.C19H30NO2.C16H28N2O2.C16H28NO3.C16H28NO2S.C15H26N2O2.C15H26NO3.C15H26NO2S.C13H22N2O2.C13H22NO3.C13H22NO2S.C11H17N2O2.C10H16N2O2.C10H16NO3.C10H16NO2S/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;1-4-7-12-18(6-3,11-5-2)13-14-20-16(19)15-9-8-10-17-15;1-4-7-11-17(6-3,10-5-2)12-14-20-16(18)15-9-8-13-19-15;1-4-7-11-17(6-3,10-5-2)12-13-19-16(18)15-9-8-14-20-15;1-4-10-17(6-3,11-5-2)12-13-19-15(18)14-8-7-9-16-14;1-4-9-16(6-3,10-5-2)11-13-19-15(17)14-8-7-12-18-14;1-4-9-16(6-3,10-5-2)11-12-18-15(17)14-8-7-13-19-14;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;1-4-14(5-2,6-3)9-10-16-13(15)12-8-7-11-17-12;1-13(2,3)8-9-15-11(14)10-4-6-12-7-5-10;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;1-11(2,3)6-7-13-10(12)9-5-4-8-14-9/h8-14H,4-7,15-18H2,1-3H3;7-13H,4-6,14-17H2,1-3H3;8-10H,4-7,11-14H2,1-3H3;8-9,13H,4-7,10-12,14H2,1-3H3;8-9,14H,4-7,10-13H2,1-3H3;7-9H,4-6,10-13H2,1-3H3;7-8,12H,4-6,9-11,13H2,1-3H3;7-8,13H,4-6,9-12H2,1-3H3;7-9H,4-6,10-11H2,1-3H3;7-8,10H,4-6,9,11H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;4-7H,8-9H2,1-3H3;4-6H,7-8H2,1-3H3;4-5,7H,6,8H2,1-3H3;4-5,8H,6-7H2,1-3H3/q2*+1;;2*+1;;2*+1;;3*+1;;2*+1/p+4/b14-13+;13-12+;;;;;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 3860.58 g/mol, XLogP of 40.04, 115 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161129032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).