butyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate

C13H28N2Se — CID 102426957

IUPACbutyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate
SMILESCCCC[Se]/C(=N\C(C)(C)C)N(CC)CC
InChIInChI=1S/C13H28N2Se/c1-7-10-11-16-12(14-13(4,5)6)15(8-2)9-3/h7-11H2,1-6H3/b14-12-
InChIKeyXXKOZDVRLCVYLD-OWBHPGMISA-N
MW291.34 g/mol
LogP3.41
Rot. Bonds6

About butyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate

butyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate (PubChem CID 102426957) has the molecular formula C13H28N2Se and a molecular weight of 291.34 g/mol. Its IUPAC name is butyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate.

Molecular Properties

Compound Namebutyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate
PubChem CID102426957
Molecular FormulaC13H28N2Se
Molecular Weight291.34 g/mol
Exact Mass292.14
IUPAC Namebutyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate
SMILESCCCC[Se]/C(=N\C(C)(C)C)N(CC)CC
InChIInChI=1S/C13H28N2Se/c1-7-10-11-16-12(14-13(4,5)6)15(8-2)9-3/h7-11H2,1-6H3/b14-12-
InChIKeyXXKOZDVRLCVYLD-OWBHPGMISA-N
XLogP3.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of butyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate?
The IUPAC name of butyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate (CID 102426957) is butyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate.
What is the SMILES notation for butyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate?
The canonical SMILES for butyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate is CCCC[Se]/C(=N\C(C)(C)C)N(CC)CC.
What is the InChIKey of butyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate?
The InChIKey is XXKOZDVRLCVYLD-OWBHPGMISA-N. The full InChI is InChI=1S/C13H28N2Se/c1-7-10-11-16-12(14-13(4,5)6)15(8-2)9-3/h7-11H2,1-6H3/b14-12-.
What are the key properties of butyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate?
butyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate has a molecular weight of 291.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N'-tert-butyl-N,N-diethylcarbamimidoselenoate is sourced from PubChem (CID 102426957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).