magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride

C8H19Cl2MgN — CID 174345193

IUPACmagnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride
SMILESCCN(C(C)C)C(C)C.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C8H19N.2ClH.Mg/c1-6-9(7(2)3)8(4)5;;;/h7-8H,6H2,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyGRRHXFHDGUXGDM-UHFFFAOYSA-L
MW224.46 g/mol
LogP-4.25
Rot. Bonds3

About magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride

magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride (PubChem CID 174345193) has the molecular formula C8H19Cl2MgN and a molecular weight of 224.46 g/mol. Its IUPAC name is magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride.

Molecular Properties

Compound Namemagnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride
PubChem CID174345193
Molecular FormulaC8H19Cl2MgN
Molecular Weight224.46 g/mol
Exact Mass223.07
IUPAC Namemagnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride
SMILESCCN(C(C)C)C(C)C.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C8H19N.2ClH.Mg/c1-6-9(7(2)3)8(4)5;;;/h7-8H,6H2,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyGRRHXFHDGUXGDM-UHFFFAOYSA-L
XLogP-4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.46
LogP ≤ 5-4.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride?
The IUPAC name of magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride (CID 174345193) is magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride.
What is the SMILES notation for magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride?
The canonical SMILES for magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride is CCN(C(C)C)C(C)C.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride?
The InChIKey is GRRHXFHDGUXGDM-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H19N.2ClH.Mg/c1-6-9(7(2)3)8(4)5;;;/h7-8H,6H2,1-5H3;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride?
magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride has a molecular weight of 224.46 g/mol, XLogP of -4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N-ethyl-N-propan-2-ylpropan-2-amine;dichloride is sourced from PubChem (CID 174345193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).