dimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride

C15H18BrCl2Mg2NO — CID 59908350

IUPACdimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride
SMILESC[C@H](C[O-])CC(=[N-])C1(c2ccc(Cl)cc2)CCC1.[Br-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C15H18ClNO.BrH.ClH.2Mg/c1-11(10-18)9-14(17)15(7-2-8-15)12-3-5-13(16)6-4-12;;;;/h3-6,11H,2,7-10H2,1H3;2*1H;;/q-2;;;2*+2/p-2/t11-;;;;/m0..../s1
InChIKeyLPOPBPOTEAUMLI-HZAYLZKLSA-L
MW427.74 g/mol
LogP-3.60
Rot. Bonds5

About dimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride

dimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride (PubChem CID 59908350) has the molecular formula C15H18BrCl2Mg2NO and a molecular weight of 427.74 g/mol. Its IUPAC name is dimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride.

Molecular Properties

Compound Namedimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride
PubChem CID59908350
Molecular FormulaC15H18BrCl2Mg2NO
Molecular Weight427.74 g/mol
Exact Mass424.96
IUPAC Namedimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride
SMILESC[C@H](C[O-])CC(=[N-])C1(c2ccc(Cl)cc2)CCC1.[Br-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C15H18ClNO.BrH.ClH.2Mg/c1-11(10-18)9-14(17)15(7-2-8-15)12-3-5-13(16)6-4-12;;;;/h3-6,11H,2,7-10H2,1H3;2*1H;;/q-2;;;2*+2/p-2/t11-;;;;/m0..../s1
InChIKeyLPOPBPOTEAUMLI-HZAYLZKLSA-L
XLogP-3.60
TPSA45.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.74
LogP ≤ 5-3.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride?
The IUPAC name of dimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride (CID 59908350) is dimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride.
What is the SMILES notation for dimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride?
The canonical SMILES for dimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride is C[C@H](C[O-])CC(=[N-])C1(c2ccc(Cl)cc2)CCC1.[Br-].[Cl-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride?
The InChIKey is LPOPBPOTEAUMLI-HZAYLZKLSA-L. The full InChI is InChI=1S/C15H18ClNO.BrH.ClH.2Mg/c1-11(10-18)9-14(17)15(7-2-8-15)12-3-5-13(16)6-4-12;;;;/h3-6,11H,2,7-10H2,1H3;2*1H;;/q-2;;;2*+2/p-2/t11-;;;;/m0..../s1.
What are the key properties of dimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride?
dimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride has a molecular weight of 427.74 g/mol, XLogP of -3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;(2S)-4-azanidylidene-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-1-olate;bromide;chloride is sourced from PubChem (CID 59908350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).