N-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine

C17H23NSe — CID 10687156

IUPACN-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine
SMILESCCCC/N=C1\[Se]CCC(CC)=C1c1ccccc1
InChIInChI=1S/C17H23NSe/c1-3-5-12-18-17-16(14(4-2)11-13-19-17)15-9-7-6-8-10-15/h6-10H,3-5,11-13H2,1-2H3/b18-17-
InChIKeyKULAGDFCWQNWLK-ZCXUNETKSA-N
MW320.34 g/mol
LogP4.57
Rot. Bonds5

About N-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine

N-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine (PubChem CID 10687156) has the molecular formula C17H23NSe and a molecular weight of 320.34 g/mol. Its IUPAC name is N-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine.

Molecular Properties

Compound NameN-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine
PubChem CID10687156
Molecular FormulaC17H23NSe
Molecular Weight320.34 g/mol
Exact Mass321.10
IUPAC NameN-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine
SMILESCCCC/N=C1\[Se]CCC(CC)=C1c1ccccc1
InChIInChI=1S/C17H23NSe/c1-3-5-12-18-17-16(14(4-2)11-13-19-17)15-9-7-6-8-10-15/h6-10H,3-5,11-13H2,1-2H3/b18-17-
InChIKeyKULAGDFCWQNWLK-ZCXUNETKSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.57
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'}

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Related Compounds

6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
Methanamine, N-(phenylmethylene)-
CID 73954
Phenylbutyl Isoselenocyanate
CID 25015746
Ethanamine, N-(phenylmethylene)-
CID 111239
N-Benzylidenepropylamine
CID 250250
Phenethylisoselenocyanate
CID 25060470
Phenylhexyl Isoselenocyanate
CID 25060471
Decylamine, N-benzylidene-
CID 525554
Benzeneethanamine, N-(3-methylbutylidene)-
CID 535665
Butylamine, N-benzylidene-
CID 296031
N-methyliminopropylbenzene
CID 11506476
1,2-Ethanediamine, N,N'-bis(1-phenylethylidene)-, (E,E)-
CID 11414406

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine?
The IUPAC name of N-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine (CID 10687156) is N-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine.
What is the SMILES notation for N-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine?
The canonical SMILES for N-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine is CCCC/N=C1\[Se]CCC(CC)=C1c1ccccc1.
What is the InChIKey of N-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine?
The InChIKey is KULAGDFCWQNWLK-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H23NSe/c1-3-5-12-18-17-16(14(4-2)11-13-19-17)15-9-7-6-8-10-15/h6-10H,3-5,11-13H2,1-2H3/b18-17-.
What are the key properties of N-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine?
N-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine has a molecular weight of 320.34 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-ethyl-5-phenyl-2,3-dihydroselenopyran-6-imine is sourced from PubChem (CID 10687156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).