N,N-diethylcarbamimidoselenoic acid

C5H12N2Se — CID 21193

IUPACN,N-diethylcarbamimidoselenoic acid
SMILES[H]/N=C(\[SeH])N(CC)CC
InChIInChI=1S/C5H12N2Se/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)
InChIKeyZHILTVUWDGCQFD-UHFFFAOYSA-N
MW179.12 g/mol
LogP0.16
Rot. Bonds2

About N,N-diethylcarbamimidoselenoic acid

N,N-diethylcarbamimidoselenoic acid (PubChem CID 21193) has the molecular formula C5H12N2Se and a molecular weight of 179.12 g/mol. Its IUPAC name is N,N-diethylcarbamimidoselenoic acid.

Molecular Properties

Compound NameN,N-diethylcarbamimidoselenoic acid
PubChem CID21193
Molecular FormulaC5H12N2Se
Molecular Weight179.12 g/mol
Exact Mass180.02
IUPAC NameN,N-diethylcarbamimidoselenoic acid
SMILES[H]/N=C(\[SeH])N(CC)CC
InChIInChI=1S/C5H12N2Se/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)
InChIKeyZHILTVUWDGCQFD-UHFFFAOYSA-N
XLogP0.16
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.12
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,1-Diethylguanidine
CID 14467
Selenourea, N,N-diethyl-
CID 6328104
Selenoethyl-guanidine
CID 129674770
N,N-Diethylimidoformamide
CID 17912027
CID 19737112
CID 19737112
N-ethyl-N-methylmethanimidamide
CID 20348162
N-carbamimidoyl-N-propylpropaneselenoamide
CID 140400373
ethane;N-ethyl-N-methanimidoylmethanimidamide
CID 144478363
N-ethyl-N-methanimidoylmethanimidamide
CID 144478364
CID 153794957
CID 153794957
N,N-diethylmethanimidamide;hydrochloride
CID 173131542
N,N-diethylcarbamimidate
CID 5078544

Frequently Asked Questions

What is the IUPAC name of N,N-diethylcarbamimidoselenoic acid?
The IUPAC name of N,N-diethylcarbamimidoselenoic acid (CID 21193) is N,N-diethylcarbamimidoselenoic acid.
What is the SMILES notation for N,N-diethylcarbamimidoselenoic acid?
The canonical SMILES for N,N-diethylcarbamimidoselenoic acid is [H]/N=C(\[SeH])N(CC)CC.
What is the InChIKey of N,N-diethylcarbamimidoselenoic acid?
The InChIKey is ZHILTVUWDGCQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2Se/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8).
What are the key properties of N,N-diethylcarbamimidoselenoic acid?
N,N-diethylcarbamimidoselenoic acid has a molecular weight of 179.12 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylcarbamimidoselenoic acid is sourced from PubChem (CID 21193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).