4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide

C12H17N3O2 — CID 71206505

IUPAC4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide
SMILESC=Nc1cc(OC)c(OC)cc1/C(=N/C)NC
InChIInChI=1S/C12H17N3O2/c1-13-9-7-11(17-5)10(16-4)6-8(9)12(14-2)15-3/h6-7H,1H2,2-5H3,(H,14,15)
InChIKeyDJPJXHGWIPDUNV-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.63
Rot. Bonds4

About 4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide

4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide (PubChem CID 71206505) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide.

Molecular Properties

Compound Name4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide
PubChem CID71206505
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide
SMILESC=Nc1cc(OC)c(OC)cc1/C(=N/C)NC
InChIInChI=1S/C12H17N3O2/c1-13-9-7-11(17-5)10(16-4)6-8(9)12(14-2)15-3/h6-7H,1H2,2-5H3,(H,14,15)
InChIKeyDJPJXHGWIPDUNV-UHFFFAOYSA-N
XLogP1.63
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.63
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

1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol
CID 145169624
N-[2-(1-chloroethenyl)-5-(3-chloropropoxy)-4-methoxyphenyl]methanimine
CID 144685745
3,4-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide
CID 142911329
4-hydroxy-3,5-dimethoxy-N'-methyl-N-(methylideneamino)benzenecarboximidamide
CID 144951822
[4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine
CID 145181337
5-[(E)-1-chloroprop-1-enyl]-2-methoxy-4-(methylideneamino)benzamide
CID 138748069
2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide
CID 89371464
N-[4,5-dimethoxy-2-[1-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]ethenyl]phenyl]methanimine
CID 157041139
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide
CID 111105582
4,5-dimethoxy-2-(1-methoxyethenyl)aniline
CID 90350857
1,2-dimethyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 110893051
N-(4-methoxy-2-prop-1-en-2-ylphenyl)methanimine
CID 145260845

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide?
The IUPAC name of 4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide (CID 71206505) is 4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide.
What is the SMILES notation for 4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide?
The canonical SMILES for 4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide is C=Nc1cc(OC)c(OC)cc1/C(=N/C)NC.
What is the InChIKey of 4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide?
The InChIKey is DJPJXHGWIPDUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13-9-7-11(17-5)10(16-4)6-8(9)12(14-2)15-3/h6-7H,1H2,2-5H3,(H,14,15).
What are the key properties of 4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide?
4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide has a molecular weight of 235.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide is sourced from PubChem (CID 71206505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).