potassium;tetrabutylazanium;diiodide

C16H36I2KN — CID 144841578

IUPACpotassium;tetrabutylazanium;diiodide
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[I-].[I-].[K+]
InChIInChI=1S/C16H36N.2HI.K/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;2*1H;/q+1;;;+1/p-2
InChIKeyNGSGKOBENCHFIK-UHFFFAOYSA-L
MW535.38 g/mol
LogP-3.98
Rot. Bonds12

About potassium;tetrabutylazanium;diiodide

potassium;tetrabutylazanium;diiodide (PubChem CID 144841578) has the molecular formula C16H36I2KN and a molecular weight of 535.38 g/mol. Its IUPAC name is potassium;tetrabutylazanium;diiodide.

Molecular Properties

Compound Namepotassium;tetrabutylazanium;diiodide
PubChem CID144841578
Molecular FormulaC16H36I2KN
Molecular Weight535.38 g/mol
Exact Mass535.06
IUPAC Namepotassium;tetrabutylazanium;diiodide
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[I-].[I-].[K+]
InChIInChI=1S/C16H36N.2HI.K/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;2*1H;/q+1;;;+1/p-2
InChIKeyNGSGKOBENCHFIK-UHFFFAOYSA-L
XLogP-3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.38
LogP ≤ 5-3.98
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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Related Compounds

hydron;tetrabutylazanium;diiodide
CID 173281455
butyl-heptyl-hexyl-pentylazanium iodide
CID 71382087
potassium;hydride;tetrabutylazanium;hydrobromide
CID 174918225
tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium hydroxide
CID 2723671
dodecane;tetrabutylazanium
CID 173225937
butyl(tripentyl)azanium
CID 14022644
bis(tetrabutylazanium);tetrachloroplatinum(2-)
CID 87982663
silane;tetrabutylazanium;fluoride
CID 174896730
dibutyl(diheptyl)azanium
CID 87534229
trioctyl(tetradecyl)azanium iodide
CID 87778484
tetrabutylazanium;chloride;hydrobromide
CID 160850218

Frequently Asked Questions

What is the IUPAC name of potassium;tetrabutylazanium;diiodide?
The IUPAC name of potassium;tetrabutylazanium;diiodide (CID 144841578) is potassium;tetrabutylazanium;diiodide.
What is the SMILES notation for potassium;tetrabutylazanium;diiodide?
The canonical SMILES for potassium;tetrabutylazanium;diiodide is CCCC[N+](CCCC)(CCCC)CCCC.[I-].[I-].[K+].
What is the InChIKey of potassium;tetrabutylazanium;diiodide?
The InChIKey is NGSGKOBENCHFIK-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H36N.2HI.K/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;2*1H;/q+1;;;+1/p-2.
What are the key properties of potassium;tetrabutylazanium;diiodide?
potassium;tetrabutylazanium;diiodide has a molecular weight of 535.38 g/mol, XLogP of -3.98, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;tetrabutylazanium;diiodide is sourced from PubChem (CID 144841578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).