N-ethylethanamine;oxoiron

C4H11FeNO — CID 175322821

IUPACN-ethylethanamine;oxoiron
SMILESCCNCC.O=[Fe]
InChIInChI=1S/C4H11N.Fe.O/c1-3-5-4-2;;/h5H,3-4H2,1-2H3;;
InChIKeyHFUXZLREIPHGDU-UHFFFAOYSA-N
MW144.98 g/mol
LogP0.49
Rot. Bonds2

About N-ethylethanamine;oxoiron

N-ethylethanamine;oxoiron (PubChem CID 175322821) has the molecular formula C4H11FeNO and a molecular weight of 144.98 g/mol. Its IUPAC name is N-ethylethanamine;oxoiron.

Molecular Properties

Compound NameN-ethylethanamine;oxoiron
PubChem CID175322821
Molecular FormulaC4H11FeNO
Molecular Weight144.98 g/mol
Exact Mass145.02
IUPAC NameN-ethylethanamine;oxoiron
SMILESCCNCC.O=[Fe]
InChIInChI=1S/C4H11N.Fe.O/c1-3-5-4-2;;/h5H,3-4H2,1-2H3;;
InChIKeyHFUXZLREIPHGDU-UHFFFAOYSA-N
XLogP0.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.98
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;oxoiron?
The IUPAC name of N-ethylethanamine;oxoiron (CID 175322821) is N-ethylethanamine;oxoiron.
What is the SMILES notation for N-ethylethanamine;oxoiron?
The canonical SMILES for N-ethylethanamine;oxoiron is CCNCC.O=[Fe].
What is the InChIKey of N-ethylethanamine;oxoiron?
The InChIKey is HFUXZLREIPHGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.Fe.O/c1-3-5-4-2;;/h5H,3-4H2,1-2H3;;.
What are the key properties of N-ethylethanamine;oxoiron?
N-ethylethanamine;oxoiron has a molecular weight of 144.98 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;oxoiron is sourced from PubChem (CID 175322821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).