dichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine)

C12H32Cl2FeN4 — CID 546960

IUPACdichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine)
SMILESCN(C)CCN(C)C.CN(C)CCN(C)C.Cl[Fe]Cl
InChIInChI=1S/2C6H16N2.2ClH.Fe/c2*1-7(2)5-6-8(3)4;;;/h2*5-6H2,1-4H3;2*1H;/q;;;;+2/p-2
InChIKeyCWXTVIRLTZNCAC-UHFFFAOYSA-L
MW359.17 g/mol
LogP1.60
Rot. Bonds6

About dichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine)

dichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine) (PubChem CID 546960) has the molecular formula C12H32Cl2FeN4 and a molecular weight of 359.17 g/mol. Its IUPAC name is dichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine).

Molecular Properties

Compound Namedichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine)
PubChem CID546960
Molecular FormulaC12H32Cl2FeN4
Molecular Weight359.17 g/mol
Exact Mass358.14
IUPAC Namedichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine)
SMILESCN(C)CCN(C)C.CN(C)CCN(C)C.Cl[Fe]Cl
InChIInChI=1S/2C6H16N2.2ClH.Fe/c2*1-7(2)5-6-8(3)4;;;/h2*5-6H2,1-4H3;2*1H;/q;;;;+2/p-2
InChIKeyCWXTVIRLTZNCAC-UHFFFAOYSA-L
XLogP1.60
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine) 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 dichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine)?
The IUPAC name of dichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine) (CID 546960) is dichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine).
What is the SMILES notation for dichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine)?
The canonical SMILES for dichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine) is CN(C)CCN(C)C.CN(C)CCN(C)C.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine)?
The InChIKey is CWXTVIRLTZNCAC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H16N2.2ClH.Fe/c2*1-7(2)5-6-8(3)4;;;/h2*5-6H2,1-4H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine)?
dichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine) has a molecular weight of 359.17 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;bis(N,N,N',N'-tetramethylethane-1,2-diamine) is sourced from PubChem (CID 546960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).