iron;N-methylprop-2-en-1-amine

C4H9FeN — CID 175581190

IUPACiron;N-methylprop-2-en-1-amine
SMILESC=CCNC.[Fe]
InChIInChI=1S/C4H9N.Fe/c1-3-4-5-2;/h3,5H,1,4H2,2H3;
InChIKeyQCAJMLKMYNOIGO-UHFFFAOYSA-N
MW126.97 g/mol
LogP0.39
Rot. Bonds2

About iron;N-methylprop-2-en-1-amine

iron;N-methylprop-2-en-1-amine (PubChem CID 175581190) has the molecular formula C4H9FeN and a molecular weight of 126.97 g/mol. Its IUPAC name is iron;N-methylprop-2-en-1-amine.

Molecular Properties

Compound Nameiron;N-methylprop-2-en-1-amine
PubChem CID175581190
Molecular FormulaC4H9FeN
Molecular Weight126.97 g/mol
Exact Mass127.01
IUPAC Nameiron;N-methylprop-2-en-1-amine
SMILESC=CCNC.[Fe]
InChIInChI=1S/C4H9N.Fe/c1-3-4-5-2;/h3,5H,1,4H2,2H3;
InChIKeyQCAJMLKMYNOIGO-UHFFFAOYSA-N
XLogP0.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.97
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron;N-methylprop-2-en-1-amine?
The IUPAC name of iron;N-methylprop-2-en-1-amine (CID 175581190) is iron;N-methylprop-2-en-1-amine.
What is the SMILES notation for iron;N-methylprop-2-en-1-amine?
The canonical SMILES for iron;N-methylprop-2-en-1-amine is C=CCNC.[Fe].
What is the InChIKey of iron;N-methylprop-2-en-1-amine?
The InChIKey is QCAJMLKMYNOIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.Fe/c1-3-4-5-2;/h3,5H,1,4H2,2H3;.
What are the key properties of iron;N-methylprop-2-en-1-amine?
iron;N-methylprop-2-en-1-amine has a molecular weight of 126.97 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iron;N-methylprop-2-en-1-amine is sourced from PubChem (CID 175581190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).