aziridin-2-yl(dimethyl)-λ3-iodane

C4H10IN — CID 149054738

IUPACaziridin-2-yl(dimethyl)-λ3-iodane
SMILESCI(C)C1CN1
InChIInChI=1S/C4H10IN/c1-5(2)4-3-6-4/h4,6H,3H2,1-2H3
InChIKeyQKNBSCWQVORBCS-UHFFFAOYSA-N
MW199.03 g/mol
LogP0.68
Rot. Bonds1

About aziridin-2-yl(dimethyl)-λ3-iodane

aziridin-2-yl(dimethyl)-λ3-iodane (PubChem CID 149054738) has the molecular formula C4H10IN and a molecular weight of 199.03 g/mol. Its IUPAC name is aziridin-2-yl(dimethyl)-λ3-iodane.

Molecular Properties

Compound Nameaziridin-2-yl(dimethyl)-λ3-iodane
PubChem CID149054738
Molecular FormulaC4H10IN
Molecular Weight199.03 g/mol
Exact Mass198.99
IUPAC Nameaziridin-2-yl(dimethyl)-λ3-iodane
SMILESCI(C)C1CN1
InChIInChI=1S/C4H10IN/c1-5(2)4-3-6-4/h4,6H,3H2,1-2H3
InChIKeyQKNBSCWQVORBCS-UHFFFAOYSA-N
XLogP0.68
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.03
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-methylazetidin-3-ol;hydrochloride
CID 134691791
(3R)-2,3-dimethylazetidine
CID 154523082
(2S)-2-iodoaziridine
CID 89376361
2,5-dimethylpiperazine;methanethiol
CID 170737896
(2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol
CID 55300795
(1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane
CID 168890480
(2R,3R,4S,5S)-2-methylpiperidine-3,4,5-triol
CID 10888061
4-iodo-5-methyl-1,3-diazinane
CID 155155495
ethane;5-methyl-2-azabicyclo[2.2.1]heptane
CID 156793137
(2S)-2-methylpiperidine-4,4-diamine
CID 166124732
(1S,2R,5R)-6,6-dichloro-2-methyl-3-azabicyclo[3.1.0]hexane
CID 58605767
(2R,3R)-3-fluoro-2-methylazetidine
CID 135396219

Frequently Asked Questions

What is the IUPAC name of aziridin-2-yl(dimethyl)-λ3-iodane?
The IUPAC name of aziridin-2-yl(dimethyl)-λ3-iodane (CID 149054738) is aziridin-2-yl(dimethyl)-λ3-iodane.
What is the SMILES notation for aziridin-2-yl(dimethyl)-λ3-iodane?
The canonical SMILES for aziridin-2-yl(dimethyl)-λ3-iodane is CI(C)C1CN1.
What is the InChIKey of aziridin-2-yl(dimethyl)-λ3-iodane?
The InChIKey is QKNBSCWQVORBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10IN/c1-5(2)4-3-6-4/h4,6H,3H2,1-2H3.
What are the key properties of aziridin-2-yl(dimethyl)-λ3-iodane?
aziridin-2-yl(dimethyl)-λ3-iodane has a molecular weight of 199.03 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-2-yl(dimethyl)-λ3-iodane is sourced from PubChem (CID 149054738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).