N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide

C11H16N2O — CID 63182135

IUPACN'-(2-methoxyethyl)-2-methylbenzenecarboximidamide
SMILESCOCC/N=C(\N)c1ccccc1C
InChIInChI=1S/C11H16N2O/c1-9-5-3-4-6-10(9)11(12)13-7-8-14-2/h3-6H,7-8H2,1-2H3,(H2,12,13)
InChIKeySSJURUXVVJFFKX-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.35
Rot. Bonds4

About N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide

N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide (PubChem CID 63182135) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-2-methylbenzenecarboximidamide
PubChem CID63182135
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN'-(2-methoxyethyl)-2-methylbenzenecarboximidamide
SMILESCOCC/N=C(\N)c1ccccc1C
InChIInChI=1S/C11H16N2O/c1-9-5-3-4-6-10(9)11(12)13-7-8-14-2/h3-6H,7-8H2,1-2H3,(H2,12,13)
InChIKeySSJURUXVVJFFKX-UHFFFAOYSA-N
XLogP1.35
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxyethyl)-2-methylbenzenecarboximidamide?
The IUPAC name of N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide (CID 63182135) is N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide.
What is the SMILES notation for N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide?
The canonical SMILES for N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide is COCC/N=C(\N)c1ccccc1C.
What is the InChIKey of N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide?
The InChIKey is SSJURUXVVJFFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-5-3-4-6-10(9)11(12)13-7-8-14-2/h3-6H,7-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide?
N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide has a molecular weight of 192.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-2-methylbenzenecarboximidamide is sourced from PubChem (CID 63182135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).