2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide

C8H16IN — CID 20574

IUPAC2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide
SMILESC[N+]1(C)CC2CCC1C2.[I-]
InChIInChI=1S/C8H16N.HI/c1-9(2)6-7-3-4-8(9)5-7;/h7-8H,3-6H2,1-2H3;1H/q+1;/p-1
InChIKeyZPXPZHIRPURGPM-UHFFFAOYSA-M
MW253.13 g/mol
LogP-1.75
Rot. Bonds

About 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide

2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide (PubChem CID 20574) has the molecular formula C8H16IN and a molecular weight of 253.13 g/mol. Its IUPAC name is 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide.

Molecular Properties

Compound Name2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide
PubChem CID20574
Molecular FormulaC8H16IN
Molecular Weight253.13 g/mol
Exact Mass253.03
IUPAC Name2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide
SMILESC[N+]1(C)CC2CCC1C2.[I-]
InChIInChI=1S/C8H16N.HI/c1-9(2)6-7-3-4-8(9)5-7;/h7-8H,3-6H2,1-2H3;1H/q+1;/p-1
InChIKeyZPXPZHIRPURGPM-UHFFFAOYSA-M
XLogP-1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 5-1.75
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 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide?
The IUPAC name of 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide (CID 20574) is 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide.
What is the SMILES notation for 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide?
The canonical SMILES for 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide is C[N+]1(C)CC2CCC1C2.[I-].
What is the InChIKey of 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide?
The InChIKey is ZPXPZHIRPURGPM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N.HI/c1-9(2)6-7-3-4-8(9)5-7;/h7-8H,3-6H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide?
2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide has a molecular weight of 253.13 g/mol, XLogP of -1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-2-azoniabicyclo[2.2.1]heptane iodide is sourced from PubChem (CID 20574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).