N,N-Dimethylaminomethylferrocene methiodide

C14H20FeIN — CID 44719007

IUPAC—
SMILESC[N+](C)(C)CC1=CC=C[CH]1.[CH]1C=CC=C1.[Fe].[I-]
InChIInChI=1S/C9H15N.C5H5.Fe.HI/c1-10(2,3)8-9-6-4-5-7-9;1-2-4-5-3-1;;/h4-7H,8H2,1-3H3;1-5H;;1H/q+1;;;/p-1
InChIKeyYODDEGRGRRDRCF-UHFFFAOYSA-M
MW385.07 g/mol
LogP-0.29
Rot. Bonds2

About N,N-Dimethylaminomethylferrocene methiodide

N,N-Dimethylaminomethylferrocene methiodide (PubChem CID 44719007) has the molecular formula C14H20FeIN and a molecular weight of 385.07 g/mol.

Molecular Properties

Compound NameN,N-Dimethylaminomethylferrocene methiodide
PubChem CID44719007
Molecular FormulaC14H20FeIN
Molecular Weight385.07 g/mol
Exact Mass385.00
IUPAC Name—
SMILESC[N+](C)(C)CC1=CC=C[CH]1.[CH]1C=CC=C1.[Fe].[I-]
InChIInChI=1S/C9H15N.C5H5.Fe.HI/c1-10(2,3)8-9-6-4-5-7-9;1-2-4-5-3-1;;/h4-7H,8H2,1-3H3;1-5H;;1H/q+1;;;/p-1
InChIKeyYODDEGRGRRDRCF-UHFFFAOYSA-M
XLogP-0.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.07
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-Dimethylaminomethylferrocene methiodide?
The IUPAC name of N,N-Dimethylaminomethylferrocene methiodide (CID 44719007) is not available.
What is the SMILES notation for N,N-Dimethylaminomethylferrocene methiodide?
The canonical SMILES for N,N-Dimethylaminomethylferrocene methiodide is C[N+](C)(C)CC1=CC=C[CH]1.[CH]1C=CC=C1.[Fe].[I-].
What is the InChIKey of N,N-Dimethylaminomethylferrocene methiodide?
The InChIKey is YODDEGRGRRDRCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15N.C5H5.Fe.HI/c1-10(2,3)8-9-6-4-5-7-9;1-2-4-5-3-1;;/h4-7H,8H2,1-3H3;1-5H;;1H/q+1;;;/p-1.
What are the key properties of N,N-Dimethylaminomethylferrocene methiodide?
N,N-Dimethylaminomethylferrocene methiodide has a molecular weight of 385.07 g/mol, XLogP of -0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-Dimethylaminomethylferrocene methiodide is sourced from PubChem (CID 44719007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).