ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate

C16H25NO — CID 139084602

IUPACethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate
SMILESCCO/C(C)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C16H25NO/c1-7-18-13(6)17-16-14(11(2)3)9-8-10-15(16)12(4)5/h8-12H,7H2,1-6H3/b17-13+
InChIKeyFYMVBWHCDKHEBT-GHRIWEEISA-N
MW247.38 g/mol
LogP5.02
Rot. Bonds4

About ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate

ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate (PubChem CID 139084602) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate.

Molecular Properties

Compound Nameethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate
PubChem CID139084602
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nameethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate
SMILESCCO/C(C)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C16H25NO/c1-7-18-13(6)17-16-14(11(2)3)9-8-10-15(16)12(4)5/h8-12H,7H2,1-6H3/b17-13+
InChIKeyFYMVBWHCDKHEBT-GHRIWEEISA-N
XLogP5.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.38
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine
CID 126613596
2-N-(2,6-diethylphenyl)-3-N-[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel
CID 87861081
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
carbanide;methyl 2-[2,6-di(propan-2-yl)phenyl]iminopropanoate;nickel;propane
CID 159826802
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);nickel;toluene
CID 139138147
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);(Z)-but-2-ene-2,3-diolate;nickel
CID 139170937
bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine
CID 20750698
3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pentane-2,4-dione
CID 102209493
6-[2,6-di(propan-2-yl)phenyl]imino-4-ethylheptan-2-one
CID 139343054

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate?
The IUPAC name of ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate (CID 139084602) is ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate.
What is the SMILES notation for ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate?
The canonical SMILES for ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate is CCO/C(C)=N/c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate?
The InChIKey is FYMVBWHCDKHEBT-GHRIWEEISA-N. The full InChI is InChI=1S/C16H25NO/c1-7-18-13(6)17-16-14(11(2)3)9-8-10-15(16)12(4)5/h8-12H,7H2,1-6H3/b17-13+.
What are the key properties of ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate?
ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate has a molecular weight of 247.38 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate is sourced from PubChem (CID 139084602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).