4-ethanimidoylbenzenecarboximidamide

C9H11N3 — CID 148687988

IUPAC4-ethanimidoylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/C(C)=N/[H])cc1
InChIInChI=1S/C9H11N3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,10H,1H3,(H3,11,12)/b10-6+
InChIKeyNSWUQBKEBQBSDX-UXBLZVDNSA-N
MW161.21 g/mol
LogP1.36
Rot. Bonds2

About 4-ethanimidoylbenzenecarboximidamide

4-ethanimidoylbenzenecarboximidamide (PubChem CID 148687988) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 4-ethanimidoylbenzenecarboximidamide.

Molecular Properties

Compound Name4-ethanimidoylbenzenecarboximidamide
PubChem CID148687988
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name4-ethanimidoylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/C(C)=N/[H])cc1
InChIInChI=1S/C9H11N3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,10H,1H3,(H3,11,12)/b10-6+
InChIKeyNSWUQBKEBQBSDX-UXBLZVDNSA-N
XLogP1.36
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

N-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]-4-ethanimidoylbenzamide
CID 142215652
4-aminobenzenecarboximidamide;ethane
CID 142339418
N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide
CID 142215662
4-methylphosphanylbenzenecarboximidamide
CID 156750976
4-[6-[(4-ethanimidoylphenyl)sulfonylamino]hexylsulfamoyl]benzenecarboximidamide
CID 142215650
1-(4-methylphenyl)ethanimine;hydrochloride
CID 131845076
1-(4-tert-butylphenyl)ethanimine
CID 20718021
4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide
CID 165097178
N-(4-carbamimidoylphenyl)acetamide;hydrochloride
CID 171776366
ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107

Frequently Asked Questions

What is the IUPAC name of 4-ethanimidoylbenzenecarboximidamide?
The IUPAC name of 4-ethanimidoylbenzenecarboximidamide (CID 148687988) is 4-ethanimidoylbenzenecarboximidamide.
What is the SMILES notation for 4-ethanimidoylbenzenecarboximidamide?
The canonical SMILES for 4-ethanimidoylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(/C(C)=N/[H])cc1.
What is the InChIKey of 4-ethanimidoylbenzenecarboximidamide?
The InChIKey is NSWUQBKEBQBSDX-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H11N3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,10H,1H3,(H3,11,12)/b10-6+.
What are the key properties of 4-ethanimidoylbenzenecarboximidamide?
4-ethanimidoylbenzenecarboximidamide has a molecular weight of 161.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoylbenzenecarboximidamide is sourced from PubChem (CID 148687988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).