2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C13H21IN4O3 — CID 111031749

IUPAC2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCOc1ccc(OC)c(N/C(N)=N/CC(=O)N(C)C)c1.I
InChIInChI=1S/C13H20N4O3.HI/c1-17(2)12(18)8-15-13(14)16-10-7-9(19-3)5-6-11(10)20-4;/h5-7H,8H2,1-4H3,(H3,14,15,16);1H
InChIKeyFAJYLBVVPUPMHJ-UHFFFAOYSA-N
MW408.24 g/mol
LogP1.14
Rot. Bonds5

About 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111031749) has the molecular formula C13H21IN4O3 and a molecular weight of 408.24 g/mol. Its IUPAC name is 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111031749
Molecular FormulaC13H21IN4O3
Molecular Weight408.24 g/mol
Exact Mass408.07
IUPAC Name2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCOc1ccc(OC)c(N/C(N)=N/CC(=O)N(C)C)c1.I
InChIInChI=1S/C13H20N4O3.HI/c1-17(2)12(18)8-15-13(14)16-10-7-9(19-3)5-6-11(10)20-4;/h5-7H,8H2,1-4H3,(H3,14,15,16);1H
InChIKeyFAJYLBVVPUPMHJ-UHFFFAOYSA-N
XLogP1.14
TPSA89.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide
CID 111032082
1-(2,5-dimethoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058327
1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine
CID 111023903
1-(2,5-dimethoxyphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085764
1-(2,5-dimethoxyphenyl)-2-prop-2-enylguanidine
CID 111023982
2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111022703
1-(2,5-dimethoxyphenyl)-2-[[4-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053856
1-(2,5-dimethoxyphenyl)-2-(4-methylpentyl)guanidine;hydroiodide
CID 111054914
1-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine
CID 111058072
N-[2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111095002
(3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide
CID 42588010
2-but-3-ynyl-1-(2,5-dimethoxyphenyl)guanidine
CID 119147803

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111031749) is 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is COc1ccc(OC)c(N/C(N)=N/CC(=O)N(C)C)c1.I.
What is the InChIKey of 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is FAJYLBVVPUPMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3.HI/c1-17(2)12(18)8-15-13(14)16-10-7-9(19-3)5-6-11(10)20-4;/h5-7H,8H2,1-4H3,(H3,14,15,16);1H.
What are the key properties of 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 408.24 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111031749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).