N'-amino-4-methoxybenzenecarboximidamide

C8H11N3O — CID 54365169

IUPACN'-amino-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(C(N)=NN)cc1
InChIInChI=1S/C8H11N3O/c1-12-7-4-2-6(3-5-7)8(9)11-10/h2-5H,10H2,1H3,(H2,9,11)
InChIKeyUPGWWFVIPVZFQI-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.27
Rot. Bonds2

About N'-amino-4-methoxybenzenecarboximidamide

N'-amino-4-methoxybenzenecarboximidamide (PubChem CID 54365169) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N'-amino-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-4-methoxybenzenecarboximidamide
PubChem CID54365169
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN'-amino-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(C(N)=NN)cc1
InChIInChI=1S/C8H11N3O/c1-12-7-4-2-6(3-5-7)8(9)11-10/h2-5H,10H2,1H3,(H2,9,11)
InChIKeyUPGWWFVIPVZFQI-UHFFFAOYSA-N
XLogP0.27
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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

N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
4-methoxy-N'-(methylamino)benzenecarboximidamide
CID 88906808
4-methoxy-N'-propan-2-ylbenzenecarboximidamide
CID 62048818
4-methoxybenzenecarbohydrazonoyl chloride
CID 175972559
N'-amino-1-methoxypyridin-1-ium-4-carboximidamide
CID 143260565
4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid
CID 142079900
4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide
CID 15258622
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
CID 23274048
1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one
CID 173327483
N'-amino-4-hydroxybenzenecarboximidamide
CID 135693195
N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride
CID 173482787

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-methoxybenzenecarboximidamide?
The IUPAC name of N'-amino-4-methoxybenzenecarboximidamide (CID 54365169) is N'-amino-4-methoxybenzenecarboximidamide.
What is the SMILES notation for N'-amino-4-methoxybenzenecarboximidamide?
The canonical SMILES for N'-amino-4-methoxybenzenecarboximidamide is COc1ccc(C(N)=NN)cc1.
What is the InChIKey of N'-amino-4-methoxybenzenecarboximidamide?
The InChIKey is UPGWWFVIPVZFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-12-7-4-2-6(3-5-7)8(9)11-10/h2-5H,10H2,1H3,(H2,9,11).
What are the key properties of N'-amino-4-methoxybenzenecarboximidamide?
N'-amino-4-methoxybenzenecarboximidamide has a molecular weight of 165.20 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 54365169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).