ethane;ethane-1,2-diamine;iron(4+)

C10H28FeN2 — CID 175586471

IUPACethane;ethane-1,2-diamine;iron(4+)
SMILESNCCN.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[Fe+4]
InChIInChI=1S/C2H8N2.4C2H5.Fe/c3-1-2-4;4*1-2;/h1-4H2;4*1H2,2H3;/q;4*-1;+4
InChIKeyHHQQIJHZOKBXHI-UHFFFAOYSA-N
MW232.19 g/mol
LogP2.26
Rot. Bonds1

About ethane;ethane-1,2-diamine;iron(4+)

ethane;ethane-1,2-diamine;iron(4+) (PubChem CID 175586471) has the molecular formula C10H28FeN2 and a molecular weight of 232.19 g/mol. Its IUPAC name is ethane;ethane-1,2-diamine;iron(4+).

Molecular Properties

Compound Nameethane;ethane-1,2-diamine;iron(4+)
PubChem CID175586471
Molecular FormulaC10H28FeN2
Molecular Weight232.19 g/mol
Exact Mass232.16
IUPAC Nameethane;ethane-1,2-diamine;iron(4+)
SMILESNCCN.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[Fe+4]
InChIInChI=1S/C2H8N2.4C2H5.Fe/c3-1-2-4;4*1-2;/h1-4H2;4*1H2,2H3;/q;4*-1;+4
InChIKeyHHQQIJHZOKBXHI-UHFFFAOYSA-N
XLogP2.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 158052826
CID 158052826
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Frequently Asked Questions

What is the IUPAC name of ethane;ethane-1,2-diamine;iron(4+)?
The IUPAC name of ethane;ethane-1,2-diamine;iron(4+) (CID 175586471) is ethane;ethane-1,2-diamine;iron(4+).
What is the SMILES notation for ethane;ethane-1,2-diamine;iron(4+)?
The canonical SMILES for ethane;ethane-1,2-diamine;iron(4+) is NCCN.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[Fe+4].
What is the InChIKey of ethane;ethane-1,2-diamine;iron(4+)?
The InChIKey is HHQQIJHZOKBXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.4C2H5.Fe/c3-1-2-4;4*1-2;/h1-4H2;4*1H2,2H3;/q;4*-1;+4.
What are the key properties of ethane;ethane-1,2-diamine;iron(4+)?
ethane;ethane-1,2-diamine;iron(4+) has a molecular weight of 232.19 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethane-1,2-diamine;iron(4+) is sourced from PubChem (CID 175586471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).