tris(ethene-1,1,2,2-tetramine);iron

C6H24FeN12 — CID 173003603

IUPACtris(ethene-1,1,2,2-tetramine);iron
SMILESNC(N)=C(N)N.NC(N)=C(N)N.NC(N)=C(N)N.[Fe]
InChIInChI=1S/3C2H8N4.Fe/c3*3-1(4)2(5)6;/h3*3-6H2;
InChIKeyXWFCEOBFYZAXKU-UHFFFAOYSA-N
MW320.19 g/mol
LogP-6.16
Rot. Bonds

About tris(ethene-1,1,2,2-tetramine);iron

tris(ethene-1,1,2,2-tetramine);iron (PubChem CID 173003603) has the molecular formula C6H24FeN12 and a molecular weight of 320.19 g/mol. Its IUPAC name is tris(ethene-1,1,2,2-tetramine);iron.

Molecular Properties

Compound Nametris(ethene-1,1,2,2-tetramine);iron
PubChem CID173003603
Molecular FormulaC6H24FeN12
Molecular Weight320.19 g/mol
Exact Mass320.16
IUPAC Nametris(ethene-1,1,2,2-tetramine);iron
SMILESNC(N)=C(N)N.NC(N)=C(N)N.NC(N)=C(N)N.[Fe]
InChIInChI=1S/3C2H8N4.Fe/c3*3-1(4)2(5)6;/h3*3-6H2;
InChIKeyXWFCEOBFYZAXKU-UHFFFAOYSA-N
XLogP-6.16
TPSA312.24 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500320.19
LogP ≤ 5-6.16
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze tris(ethene-1,1,2,2-tetramine);iron 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 tris(ethene-1,1,2,2-tetramine);iron?
The IUPAC name of tris(ethene-1,1,2,2-tetramine);iron (CID 173003603) is tris(ethene-1,1,2,2-tetramine);iron.
What is the SMILES notation for tris(ethene-1,1,2,2-tetramine);iron?
The canonical SMILES for tris(ethene-1,1,2,2-tetramine);iron is NC(N)=C(N)N.NC(N)=C(N)N.NC(N)=C(N)N.[Fe].
What is the InChIKey of tris(ethene-1,1,2,2-tetramine);iron?
The InChIKey is XWFCEOBFYZAXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H8N4.Fe/c3*3-1(4)2(5)6;/h3*3-6H2;.
What are the key properties of tris(ethene-1,1,2,2-tetramine);iron?
tris(ethene-1,1,2,2-tetramine);iron has a molecular weight of 320.19 g/mol, XLogP of -6.16, 0 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethene-1,1,2,2-tetramine);iron is sourced from PubChem (CID 173003603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).