1,1-dimethylazetidin-1-ium;dihydroiodide

C5H14I2N+ — CID 146173684

IUPAC1,1-dimethylazetidin-1-ium;dihydroiodide
SMILESC[N+]1(C)CCC1.I.I
InChIInChI=1S/C5H12N.2HI/c1-6(2)4-3-5-6;;/h3-5H2,1-2H3;2*1H/q+1;;
InChIKeyHCVCPWPRPCFJHV-UHFFFAOYSA-N
MW341.98 g/mol
LogP1.70
Rot. Bonds

About 1,1-dimethylazetidin-1-ium;dihydroiodide

1,1-dimethylazetidin-1-ium;dihydroiodide (PubChem CID 146173684) has the molecular formula C5H14I2N+ and a molecular weight of 341.98 g/mol. Its IUPAC name is 1,1-dimethylazetidin-1-ium;dihydroiodide.

Molecular Properties

Compound Name1,1-dimethylazetidin-1-ium;dihydroiodide
PubChem CID146173684
Molecular FormulaC5H14I2N+
Molecular Weight341.98 g/mol
Exact Mass341.92
IUPAC Name1,1-dimethylazetidin-1-ium;dihydroiodide
SMILESC[N+]1(C)CCC1.I.I
InChIInChI=1S/C5H12N.2HI/c1-6(2)4-3-5-6;;/h3-5H2,1-2H3;2*1H/q+1;;
InChIKeyHCVCPWPRPCFJHV-UHFFFAOYSA-N
XLogP1.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.98
LogP ≤ 51.70
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-dimethylpyrrolidin-1-ium hydroxide
CID 21468512
1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane
CID 158814736
1,1-dimethyl-azoniacycloundecane iodide
CID 121010935
1,1-dimethylpiperidin-1-ium;ethane;uranium
CID 171513680
1,1-dimethylaziridin-1-ium iodide
CID 88764737
pentadecakis(1,1-dimethylpiperidin-1-ium);pentaborate
CID 140523104
1,1-dimethylpyrrolidin-1-ium;methanol;tetrafluoroborate
CID 175569580
1,1-dimethylpyrrolidin-1-ium isocyanate
CID 66868489
1-ethyl-1,9,9-trimethyl-1,9-diazoniacyclooctadecane
CID 54262537
1,1,4,4-tetramethylazepan-1-ium
CID 123448762
1-chloropropane;1,1-dimethylpiperidin-1-ium
CID 159746860

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylazetidin-1-ium;dihydroiodide?
The IUPAC name of 1,1-dimethylazetidin-1-ium;dihydroiodide (CID 146173684) is 1,1-dimethylazetidin-1-ium;dihydroiodide.
What is the SMILES notation for 1,1-dimethylazetidin-1-ium;dihydroiodide?
The canonical SMILES for 1,1-dimethylazetidin-1-ium;dihydroiodide is C[N+]1(C)CCC1.I.I.
What is the InChIKey of 1,1-dimethylazetidin-1-ium;dihydroiodide?
The InChIKey is HCVCPWPRPCFJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N.2HI/c1-6(2)4-3-5-6;;/h3-5H2,1-2H3;2*1H/q+1;;.
What are the key properties of 1,1-dimethylazetidin-1-ium;dihydroiodide?
1,1-dimethylazetidin-1-ium;dihydroiodide has a molecular weight of 341.98 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylazetidin-1-ium;dihydroiodide is sourced from PubChem (CID 146173684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).