methyl N-(2,5-dimethylphenyl)propanimidate

C12H17NO — CID 134963742

IUPACmethyl N-(2,5-dimethylphenyl)propanimidate
SMILESCC/C(=N\c1cc(C)ccc1C)OC
InChIInChI=1S/C12H17NO/c1-5-12(14-4)13-11-8-9(2)6-7-10(11)3/h6-8H,5H2,1-4H3/b13-12+
InChIKeyWDVKEVOCRUIYJM-OUKQBFOZSA-N
MW191.27 g/mol
LogP3.39
Rot. Bonds2

About methyl N-(2,5-dimethylphenyl)propanimidate

methyl N-(2,5-dimethylphenyl)propanimidate (PubChem CID 134963742) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is methyl N-(2,5-dimethylphenyl)propanimidate.

Molecular Properties

Compound Namemethyl N-(2,5-dimethylphenyl)propanimidate
PubChem CID134963742
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namemethyl N-(2,5-dimethylphenyl)propanimidate
SMILESCC/C(=N\c1cc(C)ccc1C)OC
InChIInChI=1S/C12H17NO/c1-5-12(14-4)13-11-8-9(2)6-7-10(11)3/h6-8H,5H2,1-4H3/b13-12+
InChIKeyWDVKEVOCRUIYJM-OUKQBFOZSA-N
XLogP3.39
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.39
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

4-(2,5-dimethylphenyl)imino-5-ethylheptan-2-one
CID 123348814
2-N,3-N-bis(2,5-dimethylphenyl)butane-2,3-diimine;carbanide;methyl 2-methylpropanoate;nickel
CID 158389511
N'-(2,5-dimethylphenyl)-2,2-dimethylpropanimidamide
CID 63178280
2-methylpropyl N'-(2,5-dimethylphenyl)carbamimidothioate
CID 8776164
3-(2,5-dimethylphenyl)imino-4-hydroxypent-4-en-2-one
CID 142909705
N-(2,5-dimethylphenyl)-1-(1H-pyrrol-2-yl)ethanimine
CID 137265295
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
methyl 3-(2,5-dimethylanilino)propanoate
CID 12999019
N-(2,5-dimethylphenyl)-1-nitro-1-phenylmethanimine
CID 88525097
benzhydryl N'-(2,5-dimethylphenyl)carbamimidothioate
CID 8776178
N-(2,5-dimethylphenyl)-1-[4-[(2,5-dimethylphenyl)iminomethyl]phenyl]methanimine
CID 134109201
4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
CID 780515

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,5-dimethylphenyl)propanimidate?
The IUPAC name of methyl N-(2,5-dimethylphenyl)propanimidate (CID 134963742) is methyl N-(2,5-dimethylphenyl)propanimidate.
What is the SMILES notation for methyl N-(2,5-dimethylphenyl)propanimidate?
The canonical SMILES for methyl N-(2,5-dimethylphenyl)propanimidate is CC/C(=N\c1cc(C)ccc1C)OC.
What is the InChIKey of methyl N-(2,5-dimethylphenyl)propanimidate?
The InChIKey is WDVKEVOCRUIYJM-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-12(14-4)13-11-8-9(2)6-7-10(11)3/h6-8H,5H2,1-4H3/b13-12+.
What are the key properties of methyl N-(2,5-dimethylphenyl)propanimidate?
methyl N-(2,5-dimethylphenyl)propanimidate has a molecular weight of 191.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,5-dimethylphenyl)propanimidate is sourced from PubChem (CID 134963742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).