magnesium;tert-butyl N-methanidylcarbamate;iodide

C6H12IMgNO2 — CID 59001847

IUPACmagnesium;tert-butyl N-methanidylcarbamate;iodide
SMILES[CH2-]NC(=O)OC(C)(C)C.[I-].[Mg+2]
InChIInChI=1S/C6H12NO2.HI.Mg/c1-6(2,3)9-5(8)7-4;;/h4H2,1-3H3,(H,7,8);1H;/q-1;;+2/p-1
InChIKeyZMQUKLDYBLFWIY-UHFFFAOYSA-M
MW281.38 g/mol
LogP-2.07
Rot. Bonds

About magnesium;tert-butyl N-methanidylcarbamate;iodide

magnesium;tert-butyl N-methanidylcarbamate;iodide (PubChem CID 59001847) has the molecular formula C6H12IMgNO2 and a molecular weight of 281.38 g/mol. Its IUPAC name is magnesium;tert-butyl N-methanidylcarbamate;iodide.

Molecular Properties

Compound Namemagnesium;tert-butyl N-methanidylcarbamate;iodide
PubChem CID59001847
Molecular FormulaC6H12IMgNO2
Molecular Weight281.38 g/mol
Exact Mass280.98
IUPAC Namemagnesium;tert-butyl N-methanidylcarbamate;iodide
SMILES[CH2-]NC(=O)OC(C)(C)C.[I-].[Mg+2]
InChIInChI=1S/C6H12NO2.HI.Mg/c1-6(2,3)9-5(8)7-4;;/h4H2,1-3H3,(H,7,8);1H;/q-1;;+2/p-1
InChIKeyZMQUKLDYBLFWIY-UHFFFAOYSA-M
XLogP-2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 5-2.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 527635
CID 527635
CID 154635979
CID 154635979
CID 11198485
CID 11198485
CID 11958038
CID 11958038
CID 90274250
CID 90274250
CID 145054262
CID 145054262
CID 164028222
CID 164028222
CID 20614913
CID 20614913
CID 21353742
CID 21353742
CID 54455420
CID 54455420
CID 59661965
CID 59661965
CID 59904224
CID 59904224

Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butyl N-methanidylcarbamate;iodide?
The IUPAC name of magnesium;tert-butyl N-methanidylcarbamate;iodide (CID 59001847) is magnesium;tert-butyl N-methanidylcarbamate;iodide.
What is the SMILES notation for magnesium;tert-butyl N-methanidylcarbamate;iodide?
The canonical SMILES for magnesium;tert-butyl N-methanidylcarbamate;iodide is [CH2-]NC(=O)OC(C)(C)C.[I-].[Mg+2].
What is the InChIKey of magnesium;tert-butyl N-methanidylcarbamate;iodide?
The InChIKey is ZMQUKLDYBLFWIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12NO2.HI.Mg/c1-6(2,3)9-5(8)7-4;;/h4H2,1-3H3,(H,7,8);1H;/q-1;;+2/p-1.
What are the key properties of magnesium;tert-butyl N-methanidylcarbamate;iodide?
magnesium;tert-butyl N-methanidylcarbamate;iodide has a molecular weight of 281.38 g/mol, XLogP of -2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;tert-butyl N-methanidylcarbamate;iodide is sourced from PubChem (CID 59001847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).