N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride

C10H15ClN2 — CID 3049210

IUPACN-ethyl-N'-methylbenzenecarboximidamide;hydrochloride
SMILESCCN/C(=N\C)c1ccccc1.Cl
InChIInChI=1S/C10H14N2.ClH/c1-3-12-10(11-2)9-7-5-4-6-8-9;/h4-8H,3H2,1-2H3,(H,11,12);1H
InChIKeyXTVLJUXPPWJFCN-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.09
Rot. Bonds2

About N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride

N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride (PubChem CID 3049210) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N'-methylbenzenecarboximidamide;hydrochloride
PubChem CID3049210
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC NameN-ethyl-N'-methylbenzenecarboximidamide;hydrochloride
SMILESCCN/C(=N\C)c1ccccc1.Cl
InChIInChI=1S/C10H14N2.ClH/c1-3-12-10(11-2)9-7-5-4-6-8-9;/h4-8H,3H2,1-2H3,(H,11,12);1H
InChIKeyXTVLJUXPPWJFCN-UHFFFAOYSA-N
XLogP2.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.09
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 N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride?
The IUPAC name of N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride (CID 3049210) is N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride is CCN/C(=N\C)c1ccccc1.Cl.
What is the InChIKey of N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride?
The InChIKey is XTVLJUXPPWJFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.ClH/c1-3-12-10(11-2)9-7-5-4-6-8-9;/h4-8H,3H2,1-2H3,(H,11,12);1H.
What are the key properties of N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride?
N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride has a molecular weight of 198.70 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 3049210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).