2,4,6-trimethoxy-N'-methylbenzenecarboximidamide

C11H16N2O3 — CID 116827803

IUPAC2,4,6-trimethoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C11H16N2O3/c1-13-11(12)10-8(15-3)5-7(14-2)6-9(10)16-4/h5-6H,1-4H3,(H2,12,13)
InChIKeyHEVWQFMYQRVFBN-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.05
Rot. Bonds4

About 2,4,6-trimethoxy-N'-methylbenzenecarboximidamide

2,4,6-trimethoxy-N'-methylbenzenecarboximidamide (PubChem CID 116827803) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,4,6-trimethoxy-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2,4,6-trimethoxy-N'-methylbenzenecarboximidamide
PubChem CID116827803
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2,4,6-trimethoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C11H16N2O3/c1-13-11(12)10-8(15-3)5-7(14-2)6-9(10)16-4/h5-6H,1-4H3,(H2,12,13)
InChIKeyHEVWQFMYQRVFBN-UHFFFAOYSA-N
XLogP1.05
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide
CID 137209939
N'-hydroxy-2,6-dimethoxy-4-methylbenzenecarboximidamide
CID 19437932
3-amino-1-(2,4,6-trimethoxyphenyl)butan-1-one
CID 116915625
2-methoxy-N'-methylbenzenecarboximidamide
CID 63181922
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde
CID 7578619
1,3,5-trimethoxybenzene;urea
CID 174919725
1-(2,4,6-trimethoxyphenyl)prop-2-yn-1-one
CID 119085445
2-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648
2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
CID 116843073
2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide
CID 89371464
5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide
CID 116827761

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethoxy-N'-methylbenzenecarboximidamide?
The IUPAC name of 2,4,6-trimethoxy-N'-methylbenzenecarboximidamide (CID 116827803) is 2,4,6-trimethoxy-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 2,4,6-trimethoxy-N'-methylbenzenecarboximidamide?
The canonical SMILES for 2,4,6-trimethoxy-N'-methylbenzenecarboximidamide is C/N=C(\N)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of 2,4,6-trimethoxy-N'-methylbenzenecarboximidamide?
The InChIKey is HEVWQFMYQRVFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-13-11(12)10-8(15-3)5-7(14-2)6-9(10)16-4/h5-6H,1-4H3,(H2,12,13).
What are the key properties of 2,4,6-trimethoxy-N'-methylbenzenecarboximidamide?
2,4,6-trimethoxy-N'-methylbenzenecarboximidamide has a molecular weight of 224.26 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxy-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 116827803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).