butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium

C150H292N13O13+13 — CID 160513880

IUPACbutyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium
SMILESC#COCC[N+](C)(C)C.C#COCC[N+](CC)(CC)CC.C#COCC[N+](CC)(CCC)CCC.C#COCC[N+](CC)(CCC)CCCC.C=COCC[N+](C)(C)C.C=COCC[N+](CC)(CC)CC.C=COCC[N+](CC)(CCC)CCC.C=COCC[N+](CC)(CCC)CCCC.CC#COCC[N+](C)(C)C.CCCC[N+](CC)(CCC)CCOc1ccccc1.CCC[N+](CC)(CCC)CCOc1ccccc1.CC[N+](CC)(CC)CCOc1ccccc1.C[N+](C)(C)CCOc1ccccc1
InChIInChI=1S/C17H30NO.C16H28NO.C14H24NO.C13H28NO.C13H26NO.C12H26NO.C12H24NO.C11H18NO.C10H22NO.C10H20NO.C8H16NO.C7H16NO.C7H14NO/c1-4-7-14-18(6-3,13-5-2)15-16-19-17-11-9-8-10-12-17;1-4-12-17(6-3,13-5-2)14-15-18-16-10-8-7-9-11-16;1-4-15(5-2,6-3)12-13-16-14-10-8-7-9-11-14;2*1-5-9-11-14(7-3,10-6-2)12-13-15-8-4;2*1-5-9-13(7-3,10-6-2)11-12-14-8-4;1-12(2,3)9-10-13-11-7-5-4-6-8-11;2*1-5-11(6-2,7-3)9-10-12-8-4;1-5-7-10-8-6-9(2,3)4;2*1-5-9-7-6-8(2,3)4/h8-12H,4-7,13-16H2,1-3H3;7-11H,4-6,12-15H2,1-3H3;7-11H,4-6,12-13H2,1-3H3;8H,4-7,9-13H2,1-3H3;4H,5-7,9-13H2,1-3H3;8H,4-7,9-12H2,1-3H3;4H,5-7,9-12H2,1-3H3;4-8H,9-10H2,1-3H3;8H,4-7,9-10H2,1-3H3;4H,5-7,9-10H2,1-3H3;6,8H2,1-4H3;5H,1,6-7H2,2-4H3;1H,6-7H2,2-4H3/q13*+1
InChIKeyQTJWGGGMPINHAN-UHFFFAOYSA-N
MW2486.06 g/mol
LogP28.77
Rot. Bonds89

About butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium

butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium (PubChem CID 160513880) has the molecular formula C150H292N13O13+13 and a molecular weight of 2486.06 g/mol. Its IUPAC name is butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium.

Molecular Properties

Compound Namebutyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium
PubChem CID160513880
Molecular FormulaC150H292N13O13+13
Molecular Weight2486.06 g/mol
Exact Mass2484.25
IUPAC Namebutyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium
SMILESC#COCC[N+](C)(C)C.C#COCC[N+](CC)(CC)CC.C#COCC[N+](CC)(CCC)CCC.C#COCC[N+](CC)(CCC)CCCC.C=COCC[N+](C)(C)C.C=COCC[N+](CC)(CC)CC.C=COCC[N+](CC)(CCC)CCC.C=COCC[N+](CC)(CCC)CCCC.CC#COCC[N+](C)(C)C.CCCC[N+](CC)(CCC)CCOc1ccccc1.CCC[N+](CC)(CCC)CCOc1ccccc1.CC[N+](CC)(CC)CCOc1ccccc1.C[N+](C)(C)CCOc1ccccc1
InChIInChI=1S/C17H30NO.C16H28NO.C14H24NO.C13H28NO.C13H26NO.C12H26NO.C12H24NO.C11H18NO.C10H22NO.C10H20NO.C8H16NO.C7H16NO.C7H14NO/c1-4-7-14-18(6-3,13-5-2)15-16-19-17-11-9-8-10-12-17;1-4-12-17(6-3,13-5-2)14-15-18-16-10-8-7-9-11-16;1-4-15(5-2,6-3)12-13-16-14-10-8-7-9-11-14;2*1-5-9-11-14(7-3,10-6-2)12-13-15-8-4;2*1-5-9-13(7-3,10-6-2)11-12-14-8-4;1-12(2,3)9-10-13-11-7-5-4-6-8-11;2*1-5-11(6-2,7-3)9-10-12-8-4;1-5-7-10-8-6-9(2,3)4;2*1-5-9-7-6-8(2,3)4/h8-12H,4-7,13-16H2,1-3H3;7-11H,4-6,12-15H2,1-3H3;7-11H,4-6,12-13H2,1-3H3;8H,4-7,9-13H2,1-3H3;4H,5-7,9-13H2,1-3H3;8H,4-7,9-12H2,1-3H3;4H,5-7,9-12H2,1-3H3;4-8H,9-10H2,1-3H3;8H,4-7,9-10H2,1-3H3;4H,5-7,9-10H2,1-3H3;6,8H2,1-4H3;5H,1,6-7H2,2-4H3;1H,6-7H2,2-4H3/q13*+1
InChIKeyQTJWGGGMPINHAN-UHFFFAOYSA-N
XLogP28.77
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds89
Heavy Atoms176
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002486.06
LogP ≤ 528.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'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 butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium?
The IUPAC name of butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium (CID 160513880) is butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium.
What is the SMILES notation for butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium?
The canonical SMILES for butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium is C#COCC[N+](C)(C)C.C#COCC[N+](CC)(CC)CC.C#COCC[N+](CC)(CCC)CCC.C#COCC[N+](CC)(CCC)CCCC.C=COCC[N+](C)(C)C.C=COCC[N+](CC)(CC)CC.C=COCC[N+](CC)(CCC)CCC.C=COCC[N+](CC)(CCC)CCCC.CC#COCC[N+](C)(C)C.CCCC[N+](CC)(CCC)CCOc1ccccc1.CCC[N+](CC)(CCC)CCOc1ccccc1.CC[N+](CC)(CC)CCOc1ccccc1.C[N+](C)(C)CCOc1ccccc1.
What is the InChIKey of butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium?
The InChIKey is QTJWGGGMPINHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30NO.C16H28NO.C14H24NO.C13H28NO.C13H26NO.C12H26NO.C12H24NO.C11H18NO.C10H22NO.C10H20NO.C8H16NO.C7H16NO.C7H14NO/c1-4-7-14-18(6-3,13-5-2)15-16-19-17-11-9-8-10-12-17;1-4-12-17(6-3,13-5-2)14-15-18-16-10-8-7-9-11-16;1-4-15(5-2,6-3)12-13-16-14-10-8-7-9-11-14;2*1-5-9-11-14(7-3,10-6-2)12-13-15-8-4;2*1-5-9-13(7-3,10-6-2)11-12-14-8-4;1-12(2,3)9-10-13-11-7-5-4-6-8-11;2*1-5-11(6-2,7-3)9-10-12-8-4;1-5-7-10-8-6-9(2,3)4;2*1-5-9-7-6-8(2,3)4/h8-12H,4-7,13-16H2,1-3H3;7-11H,4-6,12-15H2,1-3H3;7-11H,4-6,12-13H2,1-3H3;8H,4-7,9-13H2,1-3H3;4H,5-7,9-13H2,1-3H3;8H,4-7,9-12H2,1-3H3;4H,5-7,9-12H2,1-3H3;4-8H,9-10H2,1-3H3;8H,4-7,9-10H2,1-3H3;4H,5-7,9-10H2,1-3H3;6,8H2,1-4H3;5H,1,6-7H2,2-4H3;1H,6-7H2,2-4H3/q13*+1.
What are the key properties of butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium?
butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium has a molecular weight of 2486.06 g/mol, XLogP of 28.77, 89 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-(2-phenoxyethyl)-propylazanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;ethyl-(2-phenoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-phenoxyethyl)azanium;trimethyl(2-phenoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium is sourced from PubChem (CID 160513880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).