tetrapropylazanium iodide

C12H28IN — CID 12429

IUPACtetrapropylazanium iodide
SMILESCCC[N+](CCC)(CCC)CCC.[I-]
InChIInChI=1S/C12H28N.HI/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
InChIKeyGKXDJYKZFZVASJ-UHFFFAOYSA-M
MW313.27 g/mol
LogP0.45
Rot. Bonds8

About tetrapropylazanium iodide

tetrapropylazanium iodide (PubChem CID 12429) has the molecular formula C12H28IN and a molecular weight of 313.27 g/mol. Its IUPAC name is tetrapropylazanium iodide.

Molecular Properties

Compound Nametetrapropylazanium iodide
PubChem CID12429
Molecular FormulaC12H28IN
Molecular Weight313.27 g/mol
Exact Mass313.13
IUPAC Nametetrapropylazanium iodide
SMILESCCC[N+](CCC)(CCC)CCC.[I-]
InChIInChI=1S/C12H28N.HI/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
InChIKeyGKXDJYKZFZVASJ-UHFFFAOYSA-M
XLogP0.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 50.45
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

Tributylamine
CID 7622
Tripropylamine
CID 7616
Tetraethylammonium
CID 5413
Tetrabutylammonium Iodide
CID 67553
Tributylmethylammonium chloride
CID 91822
Tetraethylammonium Iodide
CID 6225
2,6,10-Trimethyl-2,6,10-triazaundecane
CID 77463
N-Methyldibutylamine
CID 18855
Tetrapropylammonium hydroxide
CID 20586
Triisobutylamine
CID 14222
Tetrapropylammonium bromide
CID 74745
Tetrapropylammonium
CID 9559

Frequently Asked Questions

What is the IUPAC name of tetrapropylazanium iodide?
The IUPAC name of tetrapropylazanium iodide (CID 12429) is tetrapropylazanium iodide.
What is the SMILES notation for tetrapropylazanium iodide?
The canonical SMILES for tetrapropylazanium iodide is CCC[N+](CCC)(CCC)CCC.[I-].
What is the InChIKey of tetrapropylazanium iodide?
The InChIKey is GKXDJYKZFZVASJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28N.HI/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tetrapropylazanium iodide?
tetrapropylazanium iodide has a molecular weight of 313.27 g/mol, XLogP of 0.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapropylazanium iodide is sourced from PubChem (CID 12429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).