iron(3+);propane-1,3-diamine

C3H10FeN2+3 — CID 18953212

IUPACiron(3+);propane-1,3-diamine
SMILESNCCCN.[Fe+3]
InChIInChI=1S/C3H10N2.Fe/c4-2-1-3-5;/h1-5H2;/q;+3
InChIKeyBRFCSAKJQSPRLJ-UHFFFAOYSA-N
MW129.97 g/mol
LogP-0.71
Rot. Bonds2

About iron(3+);propane-1,3-diamine

iron(3+);propane-1,3-diamine (PubChem CID 18953212) has the molecular formula C3H10FeN2+3 and a molecular weight of 129.97 g/mol. Its IUPAC name is iron(3+);propane-1,3-diamine.

Molecular Properties

Compound Nameiron(3+);propane-1,3-diamine
PubChem CID18953212
Molecular FormulaC3H10FeN2+3
Molecular Weight129.97 g/mol
Exact Mass130.02
IUPAC Nameiron(3+);propane-1,3-diamine
SMILESNCCCN.[Fe+3]
InChIInChI=1S/C3H10N2.Fe/c4-2-1-3-5;/h1-5H2;/q;+3
InChIKeyBRFCSAKJQSPRLJ-UHFFFAOYSA-N
XLogP-0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.97
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 21315680
CID 21315680
hydron;propane-1,3-diamine;iodide
CID 175361100
platinum(2+);propane-1,3-diamine;dichloride
CID 11717080
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
ethene;propane-1,3-diamine
CID 158358945
ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 174976752
azane;butane-1,4-diamine
CID 87378889
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
butane-1,4-diamine;europium
CID 90401592
nickel(2+);tris(propane-1,3-diamine);diperchlorate
CID 71677191

Frequently Asked Questions

What is the IUPAC name of iron(3+);propane-1,3-diamine?
The IUPAC name of iron(3+);propane-1,3-diamine (CID 18953212) is iron(3+);propane-1,3-diamine.
What is the SMILES notation for iron(3+);propane-1,3-diamine?
The canonical SMILES for iron(3+);propane-1,3-diamine is NCCCN.[Fe+3].
What is the InChIKey of iron(3+);propane-1,3-diamine?
The InChIKey is BRFCSAKJQSPRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.Fe/c4-2-1-3-5;/h1-5H2;/q;+3.
What are the key properties of iron(3+);propane-1,3-diamine?
iron(3+);propane-1,3-diamine has a molecular weight of 129.97 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iron(3+);propane-1,3-diamine is sourced from PubChem (CID 18953212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).