cyclohexyl(trimethyl)azanium iodide

C9H20IN — CID 12653942

IUPACcyclohexyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)C1CCCCC1.[I-]
InChIInChI=1S/C9H20N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h9H,4-8H2,1-3H3;1H/q+1;/p-1
InChIKeyHMKDAISOYWVXCJ-UHFFFAOYSA-M
MW269.17 g/mol
LogP-0.97
Rot. Bonds1

About cyclohexyl(trimethyl)azanium iodide

cyclohexyl(trimethyl)azanium iodide (PubChem CID 12653942) has the molecular formula C9H20IN and a molecular weight of 269.17 g/mol. Its IUPAC name is cyclohexyl(trimethyl)azanium iodide.

Molecular Properties

Compound Namecyclohexyl(trimethyl)azanium iodide
PubChem CID12653942
Molecular FormulaC9H20IN
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC Namecyclohexyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)C1CCCCC1.[I-]
InChIInChI=1S/C9H20N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h9H,4-8H2,1-3H3;1H/q+1;/p-1
InChIKeyHMKDAISOYWVXCJ-UHFFFAOYSA-M
XLogP-0.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 5-0.97
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(trimethyl)azanium iodide?
The IUPAC name of cyclohexyl(trimethyl)azanium iodide (CID 12653942) is cyclohexyl(trimethyl)azanium iodide.
What is the SMILES notation for cyclohexyl(trimethyl)azanium iodide?
The canonical SMILES for cyclohexyl(trimethyl)azanium iodide is C[N+](C)(C)C1CCCCC1.[I-].
What is the InChIKey of cyclohexyl(trimethyl)azanium iodide?
The InChIKey is HMKDAISOYWVXCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h9H,4-8H2,1-3H3;1H/q+1;/p-1.
What are the key properties of cyclohexyl(trimethyl)azanium iodide?
cyclohexyl(trimethyl)azanium iodide has a molecular weight of 269.17 g/mol, XLogP of -0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(trimethyl)azanium iodide is sourced from PubChem (CID 12653942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).