methyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate

C13H20N2O — CID 135213463

IUPACmethyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate
SMILESCCNC/C(=N/c1c(C)cccc1C)OC
InChIInChI=1S/C13H20N2O/c1-5-14-9-12(16-4)15-13-10(2)7-6-8-11(13)3/h6-8,14H,5,9H2,1-4H3/b15-12-
InChIKeyRILLRLRSVBHEJW-QINSGFPZSA-N
MW220.32 g/mol
LogP2.59
Rot. Bonds4

About methyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate

methyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate (PubChem CID 135213463) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is methyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate.

Molecular Properties

Compound Namemethyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate
PubChem CID135213463
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Namemethyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate
SMILESCCNC/C(=N/c1c(C)cccc1C)OC
InChIInChI=1S/C13H20N2O/c1-5-14-9-12(16-4)15-13-10(2)7-6-8-11(13)3/h6-8,14H,5,9H2,1-4H3/b15-12-
InChIKeyRILLRLRSVBHEJW-QINSGFPZSA-N
XLogP2.59
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 methyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate?
The IUPAC name of methyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate (CID 135213463) is methyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate.
What is the SMILES notation for methyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate?
The canonical SMILES for methyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate is CCNC/C(=N/c1c(C)cccc1C)OC.
What is the InChIKey of methyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate?
The InChIKey is RILLRLRSVBHEJW-QINSGFPZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-14-9-12(16-4)15-13-10(2)7-6-8-11(13)3/h6-8,14H,5,9H2,1-4H3/b15-12-.
What are the key properties of methyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate?
methyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate has a molecular weight of 220.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,6-dimethylphenyl)-2-(ethylamino)ethanimidate is sourced from PubChem (CID 135213463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).