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

C130H268N12O12+12 — CID 161313355

IUPACbutyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-dipropyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-prop-1-ynoxyethyl)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.CC#COCC[N+](CC)(CC)CC.CC#COCC[N+](CC)(CCC)CCC.CC#COCC[N+](CC)(CCC)CCCC
InChIInChI=1S/C14H28NO.C13H26NO.C13H28NO.C13H26NO.C12H26NO.C12H24NO.C11H22NO.C10H22NO.C10H20NO.C8H16NO.C7H16NO.C7H14NO/c1-5-9-11-15(8-4,10-6-2)12-14-16-13-7-3;1-5-9-14(8-4,10-6-2)11-13-15-12-7-3;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;1-5-10-13-11-9-12(6-2,7-3)8-4;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/h5-6,8-12,14H2,1-4H3;5-6,8-11,13H2,1-4H3;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;6-9,11H2,1-4H3;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/q12*+1
InChIKeyVJEHGQDNUUGHJS-UHFFFAOYSA-N
MW2191.65 g/mol
LogP23.75
Rot. Bonds82

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

butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-dipropyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-prop-1-ynoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium (PubChem CID 161313355) has the molecular formula C130H268N12O12+12 and a molecular weight of 2191.65 g/mol. Its IUPAC name is butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-dipropyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-prop-1-ynoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium.

Molecular Properties

Compound Namebutyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-dipropyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-prop-1-ynoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium
PubChem CID161313355
Molecular FormulaC130H268N12O12+12
Molecular Weight2191.65 g/mol
Exact Mass2190.07
IUPAC Namebutyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-dipropyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-prop-1-ynoxyethyl)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.CC#COCC[N+](CC)(CC)CC.CC#COCC[N+](CC)(CCC)CCC.CC#COCC[N+](CC)(CCC)CCCC
InChIInChI=1S/C14H28NO.C13H26NO.C13H28NO.C13H26NO.C12H26NO.C12H24NO.C11H22NO.C10H22NO.C10H20NO.C8H16NO.C7H16NO.C7H14NO/c1-5-9-11-15(8-4,10-6-2)12-14-16-13-7-3;1-5-9-14(8-4,10-6-2)11-13-15-12-7-3;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;1-5-10-13-11-9-12(6-2,7-3)8-4;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/h5-6,8-12,14H2,1-4H3;5-6,8-11,13H2,1-4H3;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;6-9,11H2,1-4H3;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/q12*+1
InChIKeyVJEHGQDNUUGHJS-UHFFFAOYSA-N
XLogP23.75
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds82
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002191.65
LogP ≤ 523.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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'}

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Frequently Asked Questions

What is the IUPAC name of butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-dipropyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-prop-1-ynoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium?
The IUPAC name of butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-dipropyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-prop-1-ynoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium (CID 161313355) is butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-dipropyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-prop-1-ynoxyethyl)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-propyl-(2-prop-1-ynoxyethyl)azanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-dipropyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-prop-1-ynoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium?
The canonical SMILES for butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-dipropyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-prop-1-ynoxyethyl)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.CC#COCC[N+](CC)(CC)CC.CC#COCC[N+](CC)(CCC)CCC.CC#COCC[N+](CC)(CCC)CCCC.
What is the InChIKey of butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-dipropyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-prop-1-ynoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium?
The InChIKey is VJEHGQDNUUGHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO.C13H26NO.C13H28NO.C13H26NO.C12H26NO.C12H24NO.C11H22NO.C10H22NO.C10H20NO.C8H16NO.C7H16NO.C7H14NO/c1-5-9-11-15(8-4,10-6-2)12-14-16-13-7-3;1-5-9-14(8-4,10-6-2)11-13-15-12-7-3;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;1-5-10-13-11-9-12(6-2,7-3)8-4;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/h5-6,8-12,14H2,1-4H3;5-6,8-11,13H2,1-4H3;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;6-9,11H2,1-4H3;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/q12*+1.
What are the key properties of butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-dipropyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-prop-1-ynoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium?
butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-dipropyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-prop-1-ynoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium has a molecular weight of 2191.65 g/mol, XLogP of 23.75, 82 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-ethenoxyethyl)-ethyl-propylazanium;butyl-ethyl-(2-ethynoxyethyl)-propylazanium;butyl-ethyl-propyl-(2-prop-1-ynoxyethyl)azanium;2-ethenoxyethyl-ethyl-dipropylazanium;2-ethenoxyethyl(triethyl)azanium;2-ethenoxyethyl(trimethyl)azanium;ethyl-dipropyl-(2-prop-1-ynoxyethyl)azanium;ethyl-(2-ethynoxyethyl)-dipropylazanium;2-ethynoxyethyl(trimethyl)azanium;triethyl(2-ethynoxyethyl)azanium;triethyl(2-prop-1-ynoxyethyl)azanium;trimethyl(2-prop-1-ynoxyethyl)azanium is sourced from PubChem (CID 161313355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).