trimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide

C10H26I2N2O — CID 17400

IUPACtrimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide
SMILESC[N+](C)(C)CCOCC[N+](C)(C)C.[I-].[I-]
InChIInChI=1S/C10H26N2O.2HI/c1-11(2,3)7-9-13-10-8-12(4,5)6;;/h7-10H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyGSHPGFRNQUDFLK-UHFFFAOYSA-L
MW444.14 g/mol
LogP-5.58
Rot. Bonds6

About trimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide

trimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide (PubChem CID 17400) has the molecular formula C10H26I2N2O and a molecular weight of 444.14 g/mol. Its IUPAC name is trimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide.

Molecular Properties

Compound Nametrimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide
PubChem CID17400
Molecular FormulaC10H26I2N2O
Molecular Weight444.14 g/mol
Exact Mass444.01
IUPAC Nametrimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide
SMILESC[N+](C)(C)CCOCC[N+](C)(C)C.[I-].[I-]
InChIInChI=1S/C10H26N2O.2HI/c1-11(2,3)7-9-13-10-8-12(4,5)6;;/h7-10H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyGSHPGFRNQUDFLK-UHFFFAOYSA-L
XLogP-5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.14
LogP ≤ 5-5.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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O-Ethylcholine iodide
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2-Methoxy-N,N,N-trimethylethan-1-aminium iodide
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Ammonium, (2-methyl-2-(2-(trimethylammonio)ethoxy)ethyl)trimethyl-, diiodide
CID 46941
Ammonium, (ethylenebis(oxyethylene))bis(trimethyl-, diiodide
CID 60269
2-Ethoxy-N,N,N-triethylethan-1-aminium iodide
CID 216868
1-Propanamine, 3-(2-(dimethylamino)ethoxy)-N,N-dimethyl-
CID 118728
O-Ethylcholine
CID 80661
Ammonium, N,N-dimethyl-N,N',N'N'-tetraethyl-N,N'-oxydiethylenedi-, diiodide
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Ammonium, N,N-diethyl-N,N',N',N'-tetramethyl-N',N-oxyethylenetrimethylenedi-, diiodide
CID 45775

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide?
The IUPAC name of trimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide (CID 17400) is trimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide.
What is the SMILES notation for trimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide?
The canonical SMILES for trimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide is C[N+](C)(C)CCOCC[N+](C)(C)C.[I-].[I-].
What is the InChIKey of trimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide?
The InChIKey is GSHPGFRNQUDFLK-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H26N2O.2HI/c1-11(2,3)7-9-13-10-8-12(4,5)6;;/h7-10H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of trimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide?
trimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide has a molecular weight of 444.14 g/mol, XLogP of -5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]azanium diiodide is sourced from PubChem (CID 17400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).