2-ethyl-N',4-dimethylbenzenecarboximidamide

C11H16N2 — CID 145002084

IUPAC2-ethyl-N',4-dimethylbenzenecarboximidamide
SMILESCCc1cc(C)ccc1/C(N)=N/C
InChIInChI=1S/C11H16N2/c1-4-9-7-8(2)5-6-10(9)11(12)13-3/h5-7H,4H2,1-3H3,(H2,12,13)
InChIKeyIWHVAGBKKFYHOB-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.89
Rot. Bonds2

About 2-ethyl-N',4-dimethylbenzenecarboximidamide

2-ethyl-N',4-dimethylbenzenecarboximidamide (PubChem CID 145002084) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-ethyl-N',4-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name2-ethyl-N',4-dimethylbenzenecarboximidamide
PubChem CID145002084
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-ethyl-N',4-dimethylbenzenecarboximidamide
SMILESCCc1cc(C)ccc1/C(N)=N/C
InChIInChI=1S/C11H16N2/c1-4-9-7-8(2)5-6-10(9)11(12)13-3/h5-7H,4H2,1-3H3,(H2,12,13)
InChIKeyIWHVAGBKKFYHOB-UHFFFAOYSA-N
XLogP1.89
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
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 2-ethyl-N',4-dimethylbenzenecarboximidamide?
The IUPAC name of 2-ethyl-N',4-dimethylbenzenecarboximidamide (CID 145002084) is 2-ethyl-N',4-dimethylbenzenecarboximidamide.
What is the SMILES notation for 2-ethyl-N',4-dimethylbenzenecarboximidamide?
The canonical SMILES for 2-ethyl-N',4-dimethylbenzenecarboximidamide is CCc1cc(C)ccc1/C(N)=N/C.
What is the InChIKey of 2-ethyl-N',4-dimethylbenzenecarboximidamide?
The InChIKey is IWHVAGBKKFYHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-9-7-8(2)5-6-10(9)11(12)13-3/h5-7H,4H2,1-3H3,(H2,12,13).
What are the key properties of 2-ethyl-N',4-dimethylbenzenecarboximidamide?
2-ethyl-N',4-dimethylbenzenecarboximidamide has a molecular weight of 176.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N',4-dimethylbenzenecarboximidamide is sourced from PubChem (CID 145002084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).