1,1-dimethyl-azoniacycloundecane iodide

C12H26IN — CID 121010935

IUPAC1,1-dimethyl-azoniacycloundecane iodide
SMILESC[N+]1(C)CCCCCCCCCC1.[I-]
InChIInChI=1S/C12H26N.HI/c1-13(2)11-9-7-5-3-4-6-8-10-12-13;/h3-12H2,1-2H3;1H/q+1;/p-1
InChIKeyDXDLQKVIMBCXFE-UHFFFAOYSA-M
MW311.25 g/mol
LogP0.20
Rot. Bonds

About 1,1-dimethyl-azoniacycloundecane iodide

1,1-dimethyl-azoniacycloundecane iodide (PubChem CID 121010935) has the molecular formula C12H26IN and a molecular weight of 311.25 g/mol. Its IUPAC name is 1,1-dimethyl-azoniacycloundecane iodide.

Molecular Properties

Compound Name1,1-dimethyl-azoniacycloundecane iodide
PubChem CID121010935
Molecular FormulaC12H26IN
Molecular Weight311.25 g/mol
Exact Mass311.11
IUPAC Name1,1-dimethyl-azoniacycloundecane iodide
SMILESC[N+]1(C)CCCCCCCCCC1.[I-]
InChIInChI=1S/C12H26N.HI/c1-13(2)11-9-7-5-3-4-6-8-10-12-13;/h3-12H2,1-2H3;1H/q+1;/p-1
InChIKeyDXDLQKVIMBCXFE-UHFFFAOYSA-M
XLogP0.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 50.20
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

cyclopropane;bis(1,1-dimethylpiperidin-1-ium)
CID 67708683
1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane
CID 158814736
1,1-dimethylpiperidin-1-ium;ethane;uranium
CID 171513680
1,1-dimethylpyrrolidin-1-ium hydroxide
CID 21468512
pentadecakis(1,1-dimethylpiperidin-1-ium);pentaborate
CID 140523104
1,1-dimethylaziridin-1-ium iodide
CID 88764737
1-ethyl-1,9,9-trimethyl-1,9-diazoniacyclooctadecane
CID 54262537
1-chloropropane;1,1-dimethylpiperidin-1-ium
CID 159746860
1,1-dimethylazetidin-1-ium;dihydroiodide
CID 146173684
1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten
CID 158402178
1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate
CID 175569580
1,1-dimethylpyrrolidin-1-ium isocyanate
CID 66868489

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-azoniacycloundecane iodide?
The IUPAC name of 1,1-dimethyl-azoniacycloundecane iodide (CID 121010935) is 1,1-dimethyl-azoniacycloundecane iodide.
What is the SMILES notation for 1,1-dimethyl-azoniacycloundecane iodide?
The canonical SMILES for 1,1-dimethyl-azoniacycloundecane iodide is C[N+]1(C)CCCCCCCCCC1.[I-].
What is the InChIKey of 1,1-dimethyl-azoniacycloundecane iodide?
The InChIKey is DXDLQKVIMBCXFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26N.HI/c1-13(2)11-9-7-5-3-4-6-8-10-12-13;/h3-12H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1,1-dimethyl-azoniacycloundecane iodide?
1,1-dimethyl-azoniacycloundecane iodide has a molecular weight of 311.25 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-azoniacycloundecane iodide is sourced from PubChem (CID 121010935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).