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

C8H22I2N2 — CID 25257

IUPACtrimethyl-[2-(trimethylazaniumyl)ethyl]azanium diiodide
SMILESC[N+](C)(C)CC[N+](C)(C)C.[I-].[I-]
InChIInChI=1S/C8H22N2.2HI/c1-9(2,3)7-8-10(4,5)6;;/h7-8H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyQTULVYHYEGMYLW-UHFFFAOYSA-L
MW400.09 g/mol
LogP-5.59
Rot. Bonds3

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

trimethyl-[2-(trimethylazaniumyl)ethyl]azanium diiodide (PubChem CID 25257) has the molecular formula C8H22I2N2 and a molecular weight of 400.09 g/mol. Its IUPAC name is trimethyl-[2-(trimethylazaniumyl)ethyl]azanium diiodide.

Molecular Properties

Compound Nametrimethyl-[2-(trimethylazaniumyl)ethyl]azanium diiodide
PubChem CID25257
Molecular FormulaC8H22I2N2
Molecular Weight400.09 g/mol
Exact Mass399.99
IUPAC Nametrimethyl-[2-(trimethylazaniumyl)ethyl]azanium diiodide
SMILESC[N+](C)(C)CC[N+](C)(C)C.[I-].[I-]
InChIInChI=1S/C8H22N2.2HI/c1-9(2,3)7-8-10(4,5)6;;/h7-8H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyQTULVYHYEGMYLW-UHFFFAOYSA-L
XLogP-5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.09
LogP ≤ 5-5.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(trimethylazaniumyl)ethyl]azanium diiodide?
The IUPAC name of trimethyl-[2-(trimethylazaniumyl)ethyl]azanium diiodide (CID 25257) is trimethyl-[2-(trimethylazaniumyl)ethyl]azanium diiodide.
What is the SMILES notation for trimethyl-[2-(trimethylazaniumyl)ethyl]azanium diiodide?
The canonical SMILES for trimethyl-[2-(trimethylazaniumyl)ethyl]azanium diiodide is C[N+](C)(C)CC[N+](C)(C)C.[I-].[I-].
What is the InChIKey of trimethyl-[2-(trimethylazaniumyl)ethyl]azanium diiodide?
The InChIKey is QTULVYHYEGMYLW-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H22N2.2HI/c1-9(2,3)7-8-10(4,5)6;;/h7-8H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of trimethyl-[2-(trimethylazaniumyl)ethyl]azanium diiodide?
trimethyl-[2-(trimethylazaniumyl)ethyl]azanium diiodide has a molecular weight of 400.09 g/mol, XLogP of -5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(trimethylazaniumyl)ethyl]azanium diiodide is sourced from PubChem (CID 25257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).