magnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride

C8H14ClMgNO — CID 140508995

IUPACmagnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride
SMILESC/N=C/C1CCCCC1[O-].[Cl-].[Mg+2]
InChIInChI=1S/C8H14NO.ClH.Mg/c1-9-6-7-4-2-3-5-8(7)10;;/h6-8H,2-5H2,1H3;1H;/q-1;;+2/p-1/b9-6+;;
InChIKeyVGRFHRFGGPYJJK-SWSRPJROSA-M
MW199.96 g/mol
LogP-2.77
Rot. Bonds1

About magnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride

magnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride (PubChem CID 140508995) has the molecular formula C8H14ClMgNO and a molecular weight of 199.96 g/mol. Its IUPAC name is magnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride.

Molecular Properties

Compound Namemagnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride
PubChem CID140508995
Molecular FormulaC8H14ClMgNO
Molecular Weight199.96 g/mol
Exact Mass199.06
IUPAC Namemagnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride
SMILESC/N=C/C1CCCCC1[O-].[Cl-].[Mg+2]
InChIInChI=1S/C8H14NO.ClH.Mg/c1-9-6-7-4-2-3-5-8(7)10;;/h6-8H,2-5H2,1H3;1H;/q-1;;+2/p-1/b9-6+;;
InChIKeyVGRFHRFGGPYJJK-SWSRPJROSA-M
XLogP-2.77
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.96
LogP ≤ 5-2.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4a,5,6,7,8,8a-hexahydro-2H-1,3-benzoxazine
CID 90696139
2-(Methyliminomethyl)cyclohexan-1-ol
CID 140508996
1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine
CID 140508998

Frequently Asked Questions

What is the IUPAC name of magnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride?
The IUPAC name of magnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride (CID 140508995) is magnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride.
What is the SMILES notation for magnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride?
The canonical SMILES for magnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride is C/N=C/C1CCCCC1[O-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride?
The InChIKey is VGRFHRFGGPYJJK-SWSRPJROSA-M. The full InChI is InChI=1S/C8H14NO.ClH.Mg/c1-9-6-7-4-2-3-5-8(7)10;;/h6-8H,2-5H2,1H3;1H;/q-1;;+2/p-1/b9-6+;;.
What are the key properties of magnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride?
magnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride has a molecular weight of 199.96 g/mol, XLogP of -2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride is sourced from PubChem (CID 140508995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).