cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate)

C22H32CdN2Se2 — CID 102048772

IUPACcadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate)
SMILESCCN(CC)Cc1ccccc1[Se-].CCN(CC)Cc1ccccc1[Se-].[Cd+2]
InChIInChI=1S/2C11H17NSe.Cd/c2*1-3-12(4-2)9-10-7-5-6-8-11(10)13;/h2*5-8,13H,3-4,9H2,1-2H3;/q;;+2/p-2
InChIKeyWDVHLQGNHBAGED-UHFFFAOYSA-L
MW594.84 g/mol
LogP2.64
Rot. Bonds8

About cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate)

cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate) (PubChem CID 102048772) has the molecular formula C22H32CdN2Se2 and a molecular weight of 594.84 g/mol. Its IUPAC name is cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate).

Molecular Properties

Compound Namecadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate)
PubChem CID102048772
Molecular FormulaC22H32CdN2Se2
Molecular Weight594.84 g/mol
Exact Mass597.99
IUPAC Namecadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate)
SMILESCCN(CC)Cc1ccccc1[Se-].CCN(CC)Cc1ccccc1[Se-].[Cd+2]
InChIInChI=1S/2C11H17NSe.Cd/c2*1-3-12(4-2)9-10-7-5-6-8-11(10)13;/h2*5-8,13H,3-4,9H2,1-2H3;/q;;+2/p-2
InChIKeyWDVHLQGNHBAGED-UHFFFAOYSA-L
XLogP2.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.84
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylaminomethyl)-N-methylaniline
CID 23009383
N-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine
CID 138974312
[2-[2-(diethylaminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride
CID 70624243
N-[[2-(2,2-diethylhydrazinyl)phenyl]methyl]-N-ethylethanamine
CID 101120062
3-(diethylaminomethyl)-2-fluoroaniline
CID 107347165
2-[2-(diethylaminomethyl)phenyl]ethanethioamide
CID 82135813
N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine
CID 12587583
N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 70295850
2-[2-(diethylaminomethyl)phenyl]propan-1-ol
CID 117317101
N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine
CID 1388399
N-[[2-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine
CID 60697087
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate)?
The IUPAC name of cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate) (CID 102048772) is cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate).
What is the SMILES notation for cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate)?
The canonical SMILES for cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate) is CCN(CC)Cc1ccccc1[Se-].CCN(CC)Cc1ccccc1[Se-].[Cd+2].
What is the InChIKey of cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate)?
The InChIKey is WDVHLQGNHBAGED-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H17NSe.Cd/c2*1-3-12(4-2)9-10-7-5-6-8-11(10)13;/h2*5-8,13H,3-4,9H2,1-2H3;/q;;+2/p-2.
What are the key properties of cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate)?
cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate) has a molecular weight of 594.84 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate) is sourced from PubChem (CID 102048772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).