N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide

C11H15N3 — CID 23272403

IUPACN'-[(E)-butan-2-ylideneamino]benzenecarboximidamide
SMILESCC/C(C)=N/N=C(\N)c1ccccc1
InChIInChI=1S/C11H15N3/c1-3-9(2)13-14-11(12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,12,14)/b13-9+
InChIKeyGHYWKNOQMRSPLG-UKTHLTGXSA-N
MW189.26 g/mol
LogP2.18
Rot. Bonds3

About N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide

N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide (PubChem CID 23272403) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(E)-butan-2-ylideneamino]benzenecarboximidamide
PubChem CID23272403
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN'-[(E)-butan-2-ylideneamino]benzenecarboximidamide
SMILESCC/C(C)=N/N=C(\N)c1ccccc1
InChIInChI=1S/C11H15N3/c1-3-9(2)13-14-11(12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,12,14)/b13-9+
InChIKeyGHYWKNOQMRSPLG-UKTHLTGXSA-N
XLogP2.18
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.18
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'-[(E)-butan-2-ylideneamino]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'-butan-2-ylbenzenecarboximidamide
CID 63174298
N'-[(Z)-ethylideneamino]benzenecarboximidamide
CID 23272286
[(Z)-[amino(phenyl)methylidene]amino] propanoate
CID 12649620
N'-diethylphosphanylbenzenecarboximidamide
CID 175989324
N'-(ethylamino)benzenecarboximidamide;hydroiodide
CID 143177355
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-aminobenzenecarboximidamide
CID 5474957
N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide
CID 129438137
ethene;N'-methylbenzenecarboximidamide
CID 142294327
N-tert-butyl-1-phenylpropan-1-imine
CID 12694730
N'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide
CID 63177667
N'-(2-ethoxy-2-methylpropyl)benzenecarboximidamide
CID 114944271

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide?
The IUPAC name of N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide (CID 23272403) is N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide.
What is the SMILES notation for N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide?
The canonical SMILES for N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide is CC/C(C)=N/N=C(\N)c1ccccc1.
What is the InChIKey of N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide?
The InChIKey is GHYWKNOQMRSPLG-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-9(2)13-14-11(12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,12,14)/b13-9+.
What are the key properties of N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide?
N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide has a molecular weight of 189.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide is sourced from PubChem (CID 23272403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).