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

C93H162N11O15S2+7 — CID 159644202

IUPACbutyl-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
SMILESCCCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1cccs1.C[N+](C)(C)CCOC(=O)c1ccc[nH]1.C[N+](C)(C)CCOC(=O)c1cccs1
InChIInChI=1S/C16H28N2O2.C16H28NO3.C15H26N2O2.C13H22N2O2.C13H22NO2S.C10H16N2O2.C10H16NO2S/c1-4-7-12-18(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;1-4-10-17(6-3,11-5-2)12-13-19-15(18)14-8-7-9-16-14;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)9-10-16-13(15)12-8-7-11-17-12;1-12(2,3)7-8-14-10(13)9-5-4-6-11-9;1-11(2,3)6-7-13-10(12)9-5-4-8-14-9/h8-10H,4-7,11-14H2,1-3H3;8-9,13H,4-7,10-12,14H2,1-3H3;7-9H,4-6,10-13H2,1-3H3;7-9H,4-6,10-11H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;4-6H,7-8H2,1-3H3;4-5,8H,6-7H2,1-3H3/q;+1;;;+1;;+1/p+4
InChIKeyMQTBBODNHGDSKS-UHFFFAOYSA-R
MW1738.51 g/mol
LogP16.85
Rot. Bonds51

About 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

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 (PubChem CID 159644202) has the molecular formula C93H162N11O15S2+7 and a molecular weight of 1738.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebutyl-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
PubChem CID159644202
Molecular FormulaC93H162N11O15S2+7
Molecular Weight1738.51 g/mol
Exact Mass1737.17
IUPAC Namebutyl-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
SMILESCCCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1cccs1.C[N+](C)(C)CCOC(=O)c1ccc[nH]1.C[N+](C)(C)CCOC(=O)c1cccs1
InChIInChI=1S/C16H28N2O2.C16H28NO3.C15H26N2O2.C13H22N2O2.C13H22NO2S.C10H16N2O2.C10H16NO2S/c1-4-7-12-18(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;1-4-10-17(6-3,11-5-2)12-13-19-15(18)14-8-7-9-16-14;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)9-10-16-13(15)12-8-7-11-17-12;1-12(2,3)7-8-14-10(13)9-5-4-6-11-9;1-11(2,3)6-7-13-10(12)9-5-4-8-14-9/h8-10H,4-7,11-14H2,1-3H3;8-9,13H,4-7,10-12,14H2,1-3H3;7-9H,4-6,10-13H2,1-3H3;7-9H,4-6,10-11H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;4-6H,7-8H2,1-3H3;4-5,8H,6-7H2,1-3H3/q;+1;;;+1;;+1/p+4
InChIKeyMQTBBODNHGDSKS-UHFFFAOYSA-R
XLogP16.85
TPSA260.40 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds51
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001738.51
LogP ≤ 516.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 2459051
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
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
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;triethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(thiophene-2-carbonyloxy)ethyl]azanium
CID 157528402
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-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157532914
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
bis(2,3-dimethylfuran);2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene);3,4-dimethylthiophene
CID 157852963
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157878270
CID 158115608
CID 158115608
2-methylfuran;3-methylfuran;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene
CID 158400531
ethane;2-fluoro-5-thiophen-2-yl-1H-pyrrole;2-(furan-2-yl)-1H-pyrrole;2-hexyl-5-thiophen-2-yl-1H-pyrrole;2-methyl-5-thiophen-2-yl-1H-pyrrole;(5-thiophen-2-yl-1H-pyrrol-2-yl)methanethiol
CID 158409922
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;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 158421997

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1cccs1.C[N+](C)(C)CCOC(=O)c1ccc[nH]1.C[N+](C)(C)CCOC(=O)c1cccs1.
What is the InChIKey of 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?
The InChIKey is MQTBBODNHGDSKS-UHFFFAOYSA-R. The full InChI is InChI=1S/C16H28N2O2.C16H28NO3.C15H26N2O2.C13H22N2O2.C13H22NO2S.C10H16N2O2.C10H16NO2S/c1-4-7-12-18(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;1-4-10-17(6-3,11-5-2)12-13-19-15(18)14-8-7-9-16-14;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)9-10-16-13(15)12-8-7-11-17-12;1-12(2,3)7-8-14-10(13)9-5-4-6-11-9;1-11(2,3)6-7-13-10(12)9-5-4-8-14-9/h8-10H,4-7,11-14H2,1-3H3;8-9,13H,4-7,10-12,14H2,1-3H3;7-9H,4-6,10-13H2,1-3H3;7-9H,4-6,10-11H2,1-3H3;7-8,11H,4-6,9-10H2,1-3H3;4-6H,7-8H2,1-3H3;4-5,8H,6-7H2,1-3H3/q;+1;;;+1;;+1/p+4.
What are the key properties of 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?
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 has a molecular weight of 1738.51 g/mol, XLogP of 16.85, 51 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159644202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).