4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide

C9H13N3O — CID 123383430

IUPAC4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide
SMILESCC/N=C(\NO)c1ccc(N)cc1
InChIInChI=1S/C9H13N3O/c1-2-11-9(12-13)7-3-5-8(10)6-4-7/h3-6,13H,2,10H2,1H3,(H,11,12)
InChIKeyUFQZXFCWZQACKO-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.01
Rot. Bonds2

About 4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide

4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide (PubChem CID 123383430) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide
PubChem CID123383430
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide
SMILESCC/N=C(\NO)c1ccc(N)cc1
InChIInChI=1S/C9H13N3O/c1-2-11-9(12-13)7-3-5-8(10)6-4-7/h3-6,13H,2,10H2,1H3,(H,11,12)
InChIKeyUFQZXFCWZQACKO-UHFFFAOYSA-N
XLogP1.01
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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'-butyl-N-hydroxybenzenecarboximidamide
CID 12936228
N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide
CID 15406489
N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide
CID 155517993
[(4-aminophenyl)-(methylamino)methylidene]tungsten
CID 58496499
1-(4-aminophenyl)propan-1-one
CID 6270
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CID 67434753
4-aminophenol;butane;methanamine
CID 145479199
N'-butyl-N-hydroxy-1,3-benzodioxole-5-carboximidamide
CID 118060240
[[C-(4-chlorophenyl)-N-ethylcarbonimidoyl]amino] benzoate
CID 586265
4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol
CID 145429967
4-amino-N-ethoxybenzamide
CID 62058413
4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
CID 5399430

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide?
The IUPAC name of 4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide (CID 123383430) is 4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide is CC/N=C(\NO)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide?
The InChIKey is UFQZXFCWZQACKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-11-9(12-13)7-3-5-8(10)6-4-7/h3-6,13H,2,10H2,1H3,(H,11,12).
What are the key properties of 4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide?
4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide has a molecular weight of 179.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide is sourced from PubChem (CID 123383430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).