alpha-(N,N-Dimethylamino)ethylferrocene

C14H19FeN+2 — CID 11010616

IUPAC—
SMILESCC(C1=CC=C[CH]1)N(C)C.[CH]1C=CC=C1.[Fe+2]
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;/q;;+2
InChIKeyGBUQFTGXDHYCCG-UHFFFAOYSA-N
MW257.16 g/mol
LogP2.95
Rot. Bonds2

About alpha-(N,N-Dimethylamino)ethylferrocene

alpha-(N,N-Dimethylamino)ethylferrocene (PubChem CID 11010616) has the molecular formula C14H19FeN+2 and a molecular weight of 257.16 g/mol.

Molecular Properties

Compound Namealpha-(N,N-Dimethylamino)ethylferrocene
PubChem CID11010616
Molecular FormulaC14H19FeN+2
Molecular Weight257.16 g/mol
Exact Mass257.09
IUPAC Name—
SMILESCC(C1=CC=C[CH]1)N(C)C.[CH]1C=CC=C1.[Fe+2]
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;/q;;+2
InChIKeyGBUQFTGXDHYCCG-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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Related Compounds

Ferrocene, ((dimethylamino)methyl)-
CID 16211226
C14H19FeN
CID 16212256
(R)-(+)-N,N-Dimethyl-1-ferrocenylethylamine, 97%
CID 16212257
-(N,N-Dimethylamino)ethylferrocene
CID 102600828
N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine
CID 15514425
N,N-Dimethylaminomethylferrocene methiodide
CID 44719007
lithium (1R)-N,N-dimethyl-1-phenylpropan-1-amine
CID 134971008
(1S)-1-[(5Z)-5-(2-bromocyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
CID 138975997
1-cyclopenta-1,3-dien-1-yl-2,2,2-trifluoro-N,N-dimethylethanamine
CID 13899774
2,3-diethyl-N,N,5-trimethylcyclopenta-2,4-dien-1-amine
CID 10352268
N-propan-2-yl-N-[2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethyl]propan-2-amine
CID 15514429
1-(2-Methylidenecyclopent-3-en-1-yl)pyrrolidine
CID 71380382

Frequently Asked Questions

What is the IUPAC name of alpha-(N,N-Dimethylamino)ethylferrocene?
The IUPAC name of alpha-(N,N-Dimethylamino)ethylferrocene (CID 11010616) is not available.
What is the SMILES notation for alpha-(N,N-Dimethylamino)ethylferrocene?
The canonical SMILES for alpha-(N,N-Dimethylamino)ethylferrocene is CC(C1=CC=C[CH]1)N(C)C.[CH]1C=CC=C1.[Fe+2].
What is the InChIKey of alpha-(N,N-Dimethylamino)ethylferrocene?
The InChIKey is GBUQFTGXDHYCCG-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;/q;;+2.
What are the key properties of alpha-(N,N-Dimethylamino)ethylferrocene?
alpha-(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 alpha-(N,N-Dimethylamino)ethylferrocene is sourced from PubChem (CID 11010616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).