N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide

C12H18N2 — CID 66796149

IUPACN'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)ccc1C
InChIInChI=1S/C12H18N2/c1-5-14(4)9-13-12-8-10(2)6-7-11(12)3/h6-9H,5H2,1-4H3/b13-9+
InChIKeyNNXBMYXUXUUEER-UKTHLTGXSA-N
MW190.29 g/mol
LogP2.91
Rot. Bonds3

About N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide

N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide (PubChem CID 66796149) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
PubChem CID66796149
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)ccc1C
InChIInChI=1S/C12H18N2/c1-5-14(4)9-13-12-8-10(2)6-7-11(12)3/h6-9H,5H2,1-4H3/b13-9+
InChIKeyNNXBMYXUXUUEER-UKTHLTGXSA-N
XLogP2.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide (CID 66796149) is N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)ccc1C.
What is the InChIKey of N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide?
The InChIKey is NNXBMYXUXUUEER-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-14(4)9-13-12-8-10(2)6-7-11(12)3/h6-9H,5H2,1-4H3/b13-9+.
What are the key properties of N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide?
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide has a molecular weight of 190.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 66796149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).