cyclohexyl(triethyl)azanium;hydroiodide

C12H27IN+ — CID 126960224

IUPACcyclohexyl(triethyl)azanium;hydroiodide
SMILESCC[N+](CC)(CC)C1CCCCC1.I
InChIInChI=1S/C12H26N.HI/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h12H,4-11H2,1-3H3;1H/q+1;
InChIKeyUSLQLNFGEQYXLE-UHFFFAOYSA-N
MW312.26 g/mol
LogP3.81
Rot. Bonds4

About cyclohexyl(triethyl)azanium;hydroiodide

cyclohexyl(triethyl)azanium;hydroiodide (PubChem CID 126960224) has the molecular formula C12H27IN+ and a molecular weight of 312.26 g/mol. Its IUPAC name is cyclohexyl(triethyl)azanium;hydroiodide.

Molecular Properties

Compound Namecyclohexyl(triethyl)azanium;hydroiodide
PubChem CID126960224
Molecular FormulaC12H27IN+
Molecular Weight312.26 g/mol
Exact Mass312.12
IUPAC Namecyclohexyl(triethyl)azanium;hydroiodide
SMILESCC[N+](CC)(CC)C1CCCCC1.I
InChIInChI=1S/C12H26N.HI/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h12H,4-11H2,1-3H3;1H/q+1;
InChIKeyUSLQLNFGEQYXLE-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 53.81
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 cyclohexyl(triethyl)azanium;hydroiodide?
The IUPAC name of cyclohexyl(triethyl)azanium;hydroiodide (CID 126960224) is cyclohexyl(triethyl)azanium;hydroiodide.
What is the SMILES notation for cyclohexyl(triethyl)azanium;hydroiodide?
The canonical SMILES for cyclohexyl(triethyl)azanium;hydroiodide is CC[N+](CC)(CC)C1CCCCC1.I.
What is the InChIKey of cyclohexyl(triethyl)azanium;hydroiodide?
The InChIKey is USLQLNFGEQYXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N.HI/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h12H,4-11H2,1-3H3;1H/q+1;.
What are the key properties of cyclohexyl(triethyl)azanium;hydroiodide?
cyclohexyl(triethyl)azanium;hydroiodide has a molecular weight of 312.26 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(triethyl)azanium;hydroiodide is sourced from PubChem (CID 126960224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).