magnesium;N,N-dimethylaniline;bromide

C8H10BrMgN — CID 72731801

IUPACmagnesium;N,N-dimethylaniline;bromide
SMILESCN(C)c1[c-]cccc1.[Br-].[Mg+2]
InChIInChI=1S/C8H10N.BrH.Mg/c1-9(2)8-6-4-3-5-7-8;;/h3-6H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyFBKCXBKIMKAXOI-UHFFFAOYSA-M
MW224.38 g/mol
LogP-1.82
Rot. Bonds1

About magnesium;N,N-dimethylaniline;bromide

magnesium;N,N-dimethylaniline;bromide (PubChem CID 72731801) has the molecular formula C8H10BrMgN and a molecular weight of 224.38 g/mol. Its IUPAC name is magnesium;N,N-dimethylaniline;bromide.

Molecular Properties

Compound Namemagnesium;N,N-dimethylaniline;bromide
PubChem CID72731801
Molecular FormulaC8H10BrMgN
Molecular Weight224.38 g/mol
Exact Mass222.98
IUPAC Namemagnesium;N,N-dimethylaniline;bromide
SMILESCN(C)c1[c-]cccc1.[Br-].[Mg+2]
InChIInChI=1S/C8H10N.BrH.Mg/c1-9(2)8-6-4-3-5-7-8;;/h3-6H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyFBKCXBKIMKAXOI-UHFFFAOYSA-M
XLogP-1.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;N,N-dimethylaniline;bromide?
The IUPAC name of magnesium;N,N-dimethylaniline;bromide (CID 72731801) is magnesium;N,N-dimethylaniline;bromide.
What is the SMILES notation for magnesium;N,N-dimethylaniline;bromide?
The canonical SMILES for magnesium;N,N-dimethylaniline;bromide is CN(C)c1[c-]cccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;N,N-dimethylaniline;bromide?
The InChIKey is FBKCXBKIMKAXOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N.BrH.Mg/c1-9(2)8-6-4-3-5-7-8;;/h3-6H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;N,N-dimethylaniline;bromide?
magnesium;N,N-dimethylaniline;bromide has a molecular weight of 224.38 g/mol, XLogP of -1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N,N-dimethylaniline;bromide is sourced from PubChem (CID 72731801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).