-(N,N-Dimethylamino)ethylferrocene

C14H19FeN — CID 102600828

IUPAC—
SMILESCC(C1=CC=C[CH]1)N(C)C.[CH]1C=CC=C1.[Fe]
InChIInChI=1S/C9H14N.C5H5.Fe/c1-8(10(2)3)9-6-4-5-7-9;1-2-4-5-3-1;/h4-8H,1-3H3;1-5H;
InChIKeyISOLNZQTVMCEOI-UHFFFAOYSA-N
MW257.16 g/mol
LogP2.95
Rot. Bonds2

About -(N,N-Dimethylamino)ethylferrocene

-(N,N-Dimethylamino)ethylferrocene (PubChem CID 102600828) has the molecular formula C14H19FeN and a molecular weight of 257.16 g/mol.

Molecular Properties

Compound Name-(N,N-Dimethylamino)ethylferrocene
PubChem CID102600828
Molecular FormulaC14H19FeN
Molecular Weight257.16 g/mol
Exact Mass257.09
IUPAC Name—
SMILESCC(C1=CC=C[CH]1)N(C)C.[CH]1C=CC=C1.[Fe]
InChIInChI=1S/C9H14N.C5H5.Fe/c1-8(10(2)3)9-6-4-5-7-9;1-2-4-5-3-1;/h4-8H,1-3H3;1-5H;
InChIKeyISOLNZQTVMCEOI-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,N-Dimethylamino)ethylferrocene?
The IUPAC name of -(N,N-Dimethylamino)ethylferrocene (CID 102600828) is not available.
What is the SMILES notation for -(N,N-Dimethylamino)ethylferrocene?
The canonical SMILES for -(N,N-Dimethylamino)ethylferrocene is CC(C1=CC=C[CH]1)N(C)C.[CH]1C=CC=C1.[Fe].
What is the InChIKey of -(N,N-Dimethylamino)ethylferrocene?
The InChIKey is ISOLNZQTVMCEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N.C5H5.Fe/c1-8(10(2)3)9-6-4-5-7-9;1-2-4-5-3-1;/h4-8H,1-3H3;1-5H;.
What are the key properties of -(N,N-Dimethylamino)ethylferrocene?
-(N,N-Dimethylamino)ethylferrocene has a molecular weight of 257.16 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for -(N,N-Dimethylamino)ethylferrocene is sourced from PubChem (CID 102600828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).