magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide

C8H16BrMgNO2 — CID 166521471

IUPACmagnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide
SMILES[Br-].[CH2-]CN(C)C(=O)OC(C)(C)C.[Mg+2]
InChIInChI=1S/C8H16NO2.BrH.Mg/c1-6-9(5)7(10)11-8(2,3)4;;/h1,6H2,2-5H3;1H;/q-1;;+2/p-1
InChIKeyVDJSPLDTLQAAMT-UHFFFAOYSA-M
MW262.43 g/mol
LogP-1.69
Rot. Bonds1

About magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide

magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide (PubChem CID 166521471) has the molecular formula C8H16BrMgNO2 and a molecular weight of 262.43 g/mol. Its IUPAC name is magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide.

Molecular Properties

Compound Namemagnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide
PubChem CID166521471
Molecular FormulaC8H16BrMgNO2
Molecular Weight262.43 g/mol
Exact Mass261.02
IUPAC Namemagnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide
SMILES[Br-].[CH2-]CN(C)C(=O)OC(C)(C)C.[Mg+2]
InChIInChI=1S/C8H16NO2.BrH.Mg/c1-6-9(5)7(10)11-8(2,3)4;;/h1,6H2,2-5H3;1H;/q-1;;+2/p-1
InChIKeyVDJSPLDTLQAAMT-UHFFFAOYSA-M
XLogP-1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 5-1.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate
CID 56698929
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
CID 137320757
tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide
CID 158416734
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
tert-butyl N-(2-bromo-2,2-difluoroethyl)-N-methylcarbamate
CID 130561064
tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate
CID 105481712
tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
CID 91462214
2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid
CID 121439864
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 6991933

Frequently Asked Questions

What is the IUPAC name of magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide?
The IUPAC name of magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide (CID 166521471) is magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide.
What is the SMILES notation for magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide?
The canonical SMILES for magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide is [Br-].[CH2-]CN(C)C(=O)OC(C)(C)C.[Mg+2].
What is the InChIKey of magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide?
The InChIKey is VDJSPLDTLQAAMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16NO2.BrH.Mg/c1-6-9(5)7(10)11-8(2,3)4;;/h1,6H2,2-5H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide?
magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide has a molecular weight of 262.43 g/mol, XLogP of -1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide is sourced from PubChem (CID 166521471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).