methylazanium;tetraethylazanium;chloride;iodide

C9H26ClIN2 — CID 172809050

IUPACmethylazanium;tetraethylazanium;chloride;iodide
SMILESCC[N+](CC)(CC)CC.C[NH3+].[Cl-].[I-]
InChIInChI=1S/C8H20N.CH5N.ClH.HI/c1-5-9(6-2,7-3)8-4;1-2;;/h5-8H2,1-4H3;2H2,1H3;2*1H/q+1;;;/p-1
InChIKeyRXKHXXGHMPSBIG-UHFFFAOYSA-M
MW324.68 g/mol
LogP-5.25
Rot. Bonds4

About methylazanium;tetraethylazanium;chloride;iodide

methylazanium;tetraethylazanium;chloride;iodide (PubChem CID 172809050) has the molecular formula C9H26ClIN2 and a molecular weight of 324.68 g/mol. Its IUPAC name is methylazanium;tetraethylazanium;chloride;iodide.

Molecular Properties

Compound Namemethylazanium;tetraethylazanium;chloride;iodide
PubChem CID172809050
Molecular FormulaC9H26ClIN2
Molecular Weight324.68 g/mol
Exact Mass324.08
IUPAC Namemethylazanium;tetraethylazanium;chloride;iodide
SMILESCC[N+](CC)(CC)CC.C[NH3+].[Cl-].[I-]
InChIInChI=1S/C8H20N.CH5N.ClH.HI/c1-5-9(6-2,7-3)8-4;1-2;;/h5-8H2,1-4H3;2H2,1H3;2*1H/q+1;;;/p-1
InChIKeyRXKHXXGHMPSBIG-UHFFFAOYSA-M
XLogP-5.25
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.68
LogP ≤ 5-5.25
H-Bond Donors ≤ 51
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 methylazanium;tetraethylazanium;chloride;iodide?
The IUPAC name of methylazanium;tetraethylazanium;chloride;iodide (CID 172809050) is methylazanium;tetraethylazanium;chloride;iodide.
What is the SMILES notation for methylazanium;tetraethylazanium;chloride;iodide?
The canonical SMILES for methylazanium;tetraethylazanium;chloride;iodide is CC[N+](CC)(CC)CC.C[NH3+].[Cl-].[I-].
What is the InChIKey of methylazanium;tetraethylazanium;chloride;iodide?
The InChIKey is RXKHXXGHMPSBIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.CH5N.ClH.HI/c1-5-9(6-2,7-3)8-4;1-2;;/h5-8H2,1-4H3;2H2,1H3;2*1H/q+1;;;/p-1.
What are the key properties of methylazanium;tetraethylazanium;chloride;iodide?
methylazanium;tetraethylazanium;chloride;iodide has a molecular weight of 324.68 g/mol, XLogP of -5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylazanium;tetraethylazanium;chloride;iodide is sourced from PubChem (CID 172809050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).