3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide

C11H15N3O2 — CID 142911329

IUPAC3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide
SMILESC=NN/C(=N\C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H15N3O2/c1-12-11(14-13-2)8-5-6-9(15-3)10(7-8)16-4/h5-7H,2H2,1,3-4H3,(H,12,14)
InChIKeyJQSGYGHIXNTBCB-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.29
Rot. Bonds4

About 3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide

3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide (PubChem CID 142911329) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide
PubChem CID142911329
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide
SMILESC=NN/C(=N\C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H15N3O2/c1-12-11(14-13-2)8-5-6-9(15-3)10(7-8)16-4/h5-7H,2H2,1,3-4H3,(H,12,14)
InChIKeyJQSGYGHIXNTBCB-UHFFFAOYSA-N
XLogP1.29
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.29
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide
CID 144951822
[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea
CID 5355637
3-methoxy-4-[3-[2-methoxy-4-(N'-methylcarbamimidoyl)phenoxy]propoxy]-N'-methylbenzenecarboximidamide
CID 44573805
[1-(3,4-dimethoxyphenyl)propylideneamino]thiourea
CID 915555
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide
CID 71206505
1-(3,4-dimethoxyphenyl)-2-methylprop-2-en-1-one
CID 79189812
3,4-dimethoxy-N-sulfanylbenzamide
CID 71771275
1-(3,4-dimethoxyphenyl)-2-methylguanidine
CID 62381082
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3627864
1-(3,4-dimethoxyphenyl)-3-methoxyprop-2-en-1-one
CID 174439802
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide?
The IUPAC name of 3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide (CID 142911329) is 3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide.
What is the SMILES notation for 3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide?
The canonical SMILES for 3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide is C=NN/C(=N\C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide?
The InChIKey is JQSGYGHIXNTBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-12-11(14-13-2)8-5-6-9(15-3)10(7-8)16-4/h5-7H,2H2,1,3-4H3,(H,12,14).
What are the key properties of 3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide?
3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide has a molecular weight of 221.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide is sourced from PubChem (CID 142911329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).