2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium

C134H290N12O19+12 — CID 163633769

IUPAC2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium
SMILESC/C=C/OCC[N+](C)(C)C.C/C=C/OCC[N+](CC)(CC)CC.C/C=C/OCC[N+](CC)(CCC)CCC.C/C=C/OCC[N+](CC)(CCC)CCCC.CC#COCC[N+](CC)(CCC)CCCC.CC(=O)OCC[N+](C)(C)C.CCC(=O)OCC[N+](C)(C)C.CCC(=O)OCC[N+](CC)(CC)CC.CCCC[N+](CC)(CCC)CCOC(C)=O.CCC[N+](CC)(CCC)CCOC(=O)CC.CCC[N+](CC)(CCC)CCOC(C)=O.CC[N+](CC)(CC)CCOC(C)=O
InChIInChI=1S/C14H30NO.C14H28NO.2C13H28NO2.C13H28NO.C12H26NO2.C11H24NO2.C11H24NO.C10H22NO2.C8H18NO2.C8H18NO.C7H16NO2/c2*1-5-9-11-15(8-4,10-6-2)12-14-16-13-7-3;1-5-8-10-14(7-3,9-6-2)11-12-16-13(4)15;1-5-9-14(8-4,10-6-2)11-12-16-13(15)7-3;1-5-9-14(8-4,10-6-2)11-13-15-12-7-3;1-5-8-13(7-3,9-6-2)10-11-15-12(4)14;1-5-11(13)14-10-9-12(6-2,7-3)8-4;1-5-10-13-11-9-12(6-2,7-3)8-4;1-5-11(6-2,7-3)8-9-13-10(4)12;1-5-8(10)11-7-6-9(2,3)4;1-5-7-10-8-6-9(2,3)4;1-7(9)10-6-5-8(2,3)4/h7,13H,5-6,8-12,14H2,1-4H3;5-6,8-12,14H2,1-4H3;2*5-12H2,1-4H3;7,12H,5-6,8-11,13H2,1-4H3;5-11H2,1-4H3;5-10H2,1-4H3;5,10H,6-9,11H2,1-4H3;5-9H2,1-4H3;5-7H2,1-4H3;5,7H,6,8H2,1-4H3;5-6H2,1-4H3/q12*+1/b13-7+;;;;12-7+;;;10-5+;;;7-5+;
InChIKeyHYIABBRTVPOVAX-MURIMPMSSA-N
MW2373.86 g/mol
LogP25.01
Rot. Bonds85

About 2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium

2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium (PubChem CID 163633769) has the molecular formula C134H290N12O19+12 and a molecular weight of 2373.86 g/mol. Its IUPAC name is 2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium.

Molecular Properties

Compound Name2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium
PubChem CID163633769
Molecular FormulaC134H290N12O19+12
Molecular Weight2373.86 g/mol
Exact Mass2372.20
IUPAC Name2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium
SMILESC/C=C/OCC[N+](C)(C)C.C/C=C/OCC[N+](CC)(CC)CC.C/C=C/OCC[N+](CC)(CCC)CCC.C/C=C/OCC[N+](CC)(CCC)CCCC.CC#COCC[N+](CC)(CCC)CCCC.CC(=O)OCC[N+](C)(C)C.CCC(=O)OCC[N+](C)(C)C.CCC(=O)OCC[N+](CC)(CC)CC.CCCC[N+](CC)(CCC)CCOC(C)=O.CCC[N+](CC)(CCC)CCOC(=O)CC.CCC[N+](CC)(CCC)CCOC(C)=O.CC[N+](CC)(CC)CCOC(C)=O
InChIInChI=1S/C14H30NO.C14H28NO.2C13H28NO2.C13H28NO.C12H26NO2.C11H24NO2.C11H24NO.C10H22NO2.C8H18NO2.C8H18NO.C7H16NO2/c2*1-5-9-11-15(8-4,10-6-2)12-14-16-13-7-3;1-5-8-10-14(7-3,9-6-2)11-12-16-13(4)15;1-5-9-14(8-4,10-6-2)11-12-16-13(15)7-3;1-5-9-14(8-4,10-6-2)11-13-15-12-7-3;1-5-8-13(7-3,9-6-2)10-11-15-12(4)14;1-5-11(13)14-10-9-12(6-2,7-3)8-4;1-5-10-13-11-9-12(6-2,7-3)8-4;1-5-11(6-2,7-3)8-9-13-10(4)12;1-5-8(10)11-7-6-9(2,3)4;1-5-7-10-8-6-9(2,3)4;1-7(9)10-6-5-8(2,3)4/h7,13H,5-6,8-12,14H2,1-4H3;5-6,8-12,14H2,1-4H3;2*5-12H2,1-4H3;7,12H,5-6,8-11,13H2,1-4H3;5-11H2,1-4H3;5-10H2,1-4H3;5,10H,6-9,11H2,1-4H3;5-9H2,1-4H3;5-7H2,1-4H3;5,7H,6,8H2,1-4H3;5-6H2,1-4H3/q12*+1/b13-7+;;;;12-7+;;;10-5+;;;7-5+;
InChIKeyHYIABBRTVPOVAX-MURIMPMSSA-N
XLogP25.01
TPSA230.25 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds85
Heavy Atoms165
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002373.86
LogP ≤ 525.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium?
The IUPAC name of 2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium (CID 163633769) is 2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium.
What is the SMILES notation for 2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium?
The canonical SMILES for 2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium is C/C=C/OCC[N+](C)(C)C.C/C=C/OCC[N+](CC)(CC)CC.C/C=C/OCC[N+](CC)(CCC)CCC.C/C=C/OCC[N+](CC)(CCC)CCCC.CC#COCC[N+](CC)(CCC)CCCC.CC(=O)OCC[N+](C)(C)C.CCC(=O)OCC[N+](C)(C)C.CCC(=O)OCC[N+](CC)(CC)CC.CCCC[N+](CC)(CCC)CCOC(C)=O.CCC[N+](CC)(CCC)CCOC(=O)CC.CCC[N+](CC)(CCC)CCOC(C)=O.CC[N+](CC)(CC)CCOC(C)=O.
What is the InChIKey of 2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium?
The InChIKey is HYIABBRTVPOVAX-MURIMPMSSA-N. The full InChI is InChI=1S/C14H30NO.C14H28NO.2C13H28NO2.C13H28NO.C12H26NO2.C11H24NO2.C11H24NO.C10H22NO2.C8H18NO2.C8H18NO.C7H16NO2/c2*1-5-9-11-15(8-4,10-6-2)12-14-16-13-7-3;1-5-8-10-14(7-3,9-6-2)11-12-16-13(4)15;1-5-9-14(8-4,10-6-2)11-12-16-13(15)7-3;1-5-9-14(8-4,10-6-2)11-13-15-12-7-3;1-5-8-13(7-3,9-6-2)10-11-15-12(4)14;1-5-11(13)14-10-9-12(6-2,7-3)8-4;1-5-10-13-11-9-12(6-2,7-3)8-4;1-5-11(6-2,7-3)8-9-13-10(4)12;1-5-8(10)11-7-6-9(2,3)4;1-5-7-10-8-6-9(2,3)4;1-7(9)10-6-5-8(2,3)4/h7,13H,5-6,8-12,14H2,1-4H3;5-6,8-12,14H2,1-4H3;2*5-12H2,1-4H3;7,12H,5-6,8-11,13H2,1-4H3;5-11H2,1-4H3;5-10H2,1-4H3;5,10H,6-9,11H2,1-4H3;5-9H2,1-4H3;5-7H2,1-4H3;5,7H,6,8H2,1-4H3;5-6H2,1-4H3/q12*+1/b13-7+;;;;12-7+;;;10-5+;;;7-5+;.
What are the key properties of 2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium?
2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium has a molecular weight of 2373.86 g/mol, XLogP of 25.01, 85 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium is sourced from PubChem (CID 163633769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).