cycloheptyl(dimethyl)azanium iodide

C9H20IN — CID 68502985

IUPACcycloheptyl(dimethyl)azanium iodide
SMILESC[NH+](C)C1CCCCCC1.[I-]
InChIInChI=1S/C9H19N.HI/c1-10(2)9-7-5-3-4-6-8-9;/h9H,3-8H2,1-2H3;1H
InChIKeyIMXOEFGIQFASQU-UHFFFAOYSA-N
MW269.17 g/mol
LogP-2.14
Rot. Bonds1

About cycloheptyl(dimethyl)azanium iodide

cycloheptyl(dimethyl)azanium iodide (PubChem CID 68502985) has the molecular formula C9H20IN and a molecular weight of 269.17 g/mol. Its IUPAC name is cycloheptyl(dimethyl)azanium iodide.

Molecular Properties

Compound Namecycloheptyl(dimethyl)azanium iodide
PubChem CID68502985
Molecular FormulaC9H20IN
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC Namecycloheptyl(dimethyl)azanium iodide
SMILESC[NH+](C)C1CCCCCC1.[I-]
InChIInChI=1S/C9H19N.HI/c1-10(2)9-7-5-3-4-6-8-9;/h9H,3-8H2,1-2H3;1H
InChIKeyIMXOEFGIQFASQU-UHFFFAOYSA-N
XLogP-2.14
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 5-2.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl(dimethyl)azanium iodide?
The IUPAC name of cycloheptyl(dimethyl)azanium iodide (CID 68502985) is cycloheptyl(dimethyl)azanium iodide.
What is the SMILES notation for cycloheptyl(dimethyl)azanium iodide?
The canonical SMILES for cycloheptyl(dimethyl)azanium iodide is C[NH+](C)C1CCCCCC1.[I-].
What is the InChIKey of cycloheptyl(dimethyl)azanium iodide?
The InChIKey is IMXOEFGIQFASQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.HI/c1-10(2)9-7-5-3-4-6-8-9;/h9H,3-8H2,1-2H3;1H.
What are the key properties of cycloheptyl(dimethyl)azanium iodide?
cycloheptyl(dimethyl)azanium iodide has a molecular weight of 269.17 g/mol, XLogP of -2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl(dimethyl)azanium iodide is sourced from PubChem (CID 68502985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).