1-butyl-3-methylimidazolidine;tetrachloroiron(1-)

C8H18Cl4FeN2- — CID 159576929

IUPAC1-butyl-3-methylimidazolidine;tetrachloroiron(1-)
SMILESCCCCN1CCN(C)C1.Cl[Fe-](Cl)(Cl)Cl
InChIInChI=1S/C8H18N2.4ClH.Fe/c1-3-4-5-10-7-6-9(2)8-10;;;;;/h3-8H2,1-2H3;4*1H;/q;;;;;+3/p-4
InChIKeyNCBODAJANLDXLW-UHFFFAOYSA-J
MW339.90 g/mol
LogP3.75
Rot. Bonds3

About 1-butyl-3-methylimidazolidine;tetrachloroiron(1-)

1-butyl-3-methylimidazolidine;tetrachloroiron(1-) (PubChem CID 159576929) has the molecular formula C8H18Cl4FeN2- and a molecular weight of 339.90 g/mol. Its IUPAC name is 1-butyl-3-methylimidazolidine;tetrachloroiron(1-).

Molecular Properties

Compound Name1-butyl-3-methylimidazolidine;tetrachloroiron(1-)
PubChem CID159576929
Molecular FormulaC8H18Cl4FeN2-
Molecular Weight339.90 g/mol
Exact Mass337.96
IUPAC Name1-butyl-3-methylimidazolidine;tetrachloroiron(1-)
SMILESCCCCN1CCN(C)C1.Cl[Fe-](Cl)(Cl)Cl
InChIInChI=1S/C8H18N2.4ClH.Fe/c1-3-4-5-10-7-6-9(2)8-10;;;;;/h3-8H2,1-2H3;4*1H;/q;;;;;+3/p-4
InChIKeyNCBODAJANLDXLW-UHFFFAOYSA-J
XLogP3.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.90
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-butylazetidine;ethane
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1-ethyl-3-methylimidazolidine;phosphane;bromide
CID 167699735
acetylene;1-methyl-4-octylpiperazine
CID 144712197
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CID 59927470
1-octylaziridine
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CID 66887116

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methylimidazolidine;tetrachloroiron(1-)?
The IUPAC name of 1-butyl-3-methylimidazolidine;tetrachloroiron(1-) (CID 159576929) is 1-butyl-3-methylimidazolidine;tetrachloroiron(1-).
What is the SMILES notation for 1-butyl-3-methylimidazolidine;tetrachloroiron(1-)?
The canonical SMILES for 1-butyl-3-methylimidazolidine;tetrachloroiron(1-) is CCCCN1CCN(C)C1.Cl[Fe-](Cl)(Cl)Cl.
What is the InChIKey of 1-butyl-3-methylimidazolidine;tetrachloroiron(1-)?
The InChIKey is NCBODAJANLDXLW-UHFFFAOYSA-J. The full InChI is InChI=1S/C8H18N2.4ClH.Fe/c1-3-4-5-10-7-6-9(2)8-10;;;;;/h3-8H2,1-2H3;4*1H;/q;;;;;+3/p-4.
What are the key properties of 1-butyl-3-methylimidazolidine;tetrachloroiron(1-)?
1-butyl-3-methylimidazolidine;tetrachloroiron(1-) has a molecular weight of 339.90 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylimidazolidine;tetrachloroiron(1-) is sourced from PubChem (CID 159576929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).