N'-[(Z)-ethylideneamino]benzenecarboximidamide

C9H11N3 — CID 23272286

IUPACN'-[(Z)-ethylideneamino]benzenecarboximidamide
SMILESC/C=N\N=C(/N)c1ccccc1
InChIInChI=1S/C9H11N3/c1-2-11-12-9(10)8-6-4-3-5-7-8/h2-7H,1H3,(H2,10,12)/b11-2-
InChIKeyGQFURHTVCOOYPQ-FUQNDXKWSA-N
MW161.21 g/mol
LogP1.40
Rot. Bonds2

About N'-[(Z)-ethylideneamino]benzenecarboximidamide

N'-[(Z)-ethylideneamino]benzenecarboximidamide (PubChem CID 23272286) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is N'-[(Z)-ethylideneamino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-ethylideneamino]benzenecarboximidamide
PubChem CID23272286
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC NameN'-[(Z)-ethylideneamino]benzenecarboximidamide
SMILESC/C=N\N=C(/N)c1ccccc1
InChIInChI=1S/C9H11N3/c1-2-11-12-9(10)8-6-4-3-5-7-8/h2-7H,1H3,(H2,10,12)/b11-2-
InChIKeyGQFURHTVCOOYPQ-FUQNDXKWSA-N
XLogP1.40
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(Z)-ethylideneamino]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide
CID 129438137
N'-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenecarboximidamide
CID 22610708
N'-[(Z)-prop-1-enyl]benzenecarboximidamide
CID 137386486
N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide
CID 45048663
N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide
CID 135627037
N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide
CID 23272403
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-aminobenzenecarboximidamide
CID 5474957
ethene;N'-methylbenzenecarboximidamide
CID 142294327
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide
CID 70171441
N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
CID 70171064

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-ethylideneamino]benzenecarboximidamide?
The IUPAC name of N'-[(Z)-ethylideneamino]benzenecarboximidamide (CID 23272286) is N'-[(Z)-ethylideneamino]benzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-ethylideneamino]benzenecarboximidamide?
The canonical SMILES for N'-[(Z)-ethylideneamino]benzenecarboximidamide is C/C=N\N=C(/N)c1ccccc1.
What is the InChIKey of N'-[(Z)-ethylideneamino]benzenecarboximidamide?
The InChIKey is GQFURHTVCOOYPQ-FUQNDXKWSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-11-12-9(10)8-6-4-3-5-7-8/h2-7H,1H3,(H2,10,12)/b11-2-.
What are the key properties of N'-[(Z)-ethylideneamino]benzenecarboximidamide?
N'-[(Z)-ethylideneamino]benzenecarboximidamide has a molecular weight of 161.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-ethylideneamino]benzenecarboximidamide is sourced from PubChem (CID 23272286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).