N'-(ethylamino)benzenecarboximidamide;hydroiodide

C9H14IN3 — CID 143177355

IUPACN'-(ethylamino)benzenecarboximidamide;hydroiodide
SMILESCCN/N=C(\N)c1ccccc1.I
InChIInChI=1S/C9H13N3.HI/c1-2-11-12-9(10)8-6-4-3-5-7-8;/h3-7,11H,2H2,1H3,(H2,10,12);1H
InChIKeyRSSMNJMORKIRNC-UHFFFAOYSA-N
MW291.14 g/mol
LogP1.53
Rot. Bonds3

About N'-(ethylamino)benzenecarboximidamide;hydroiodide

N'-(ethylamino)benzenecarboximidamide;hydroiodide (PubChem CID 143177355) has the molecular formula C9H14IN3 and a molecular weight of 291.14 g/mol. Its IUPAC name is N'-(ethylamino)benzenecarboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(ethylamino)benzenecarboximidamide;hydroiodide
PubChem CID143177355
Molecular FormulaC9H14IN3
Molecular Weight291.14 g/mol
Exact Mass291.02
IUPAC NameN'-(ethylamino)benzenecarboximidamide;hydroiodide
SMILESCCN/N=C(\N)c1ccccc1.I
InChIInChI=1S/C9H13N3.HI/c1-2-11-12-9(10)8-6-4-3-5-7-8;/h3-7,11H,2H2,1H3,(H2,10,12);1H
InChIKeyRSSMNJMORKIRNC-UHFFFAOYSA-N
XLogP1.53
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.53
H-Bond Donors ≤ 52
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(methylamino)benzenecarboximidamide;hydroiodide
CID 12566592
N'-diethylphosphanylbenzenecarboximidamide
CID 175989324
N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide
CID 23272403
N'-butan-2-ylbenzenecarboximidamide
CID 63174298
N'-aminobenzenecarboximidamide
CID 5474957
N'-hydroxybenzenecarboximidamide
CID 142861747
ethene;N'-methylbenzenecarboximidamide
CID 142294327
N'-[2-(methylamino)ethyl]benzenecarboximidamide
CID 89222579
N'-(dibenzothiophen-4-ylmethylamino)benzenecarboximidamide
CID 90070940
N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide
CID 145334764
N'-(2-chloroanilino)benzenecarboximidamide
CID 134068294
[(Z)-[amino(phenyl)methylidene]amino] propanoate
CID 12649620

Frequently Asked Questions

What is the IUPAC name of N'-(ethylamino)benzenecarboximidamide;hydroiodide?
The IUPAC name of N'-(ethylamino)benzenecarboximidamide;hydroiodide (CID 143177355) is N'-(ethylamino)benzenecarboximidamide;hydroiodide.
What is the SMILES notation for N'-(ethylamino)benzenecarboximidamide;hydroiodide?
The canonical SMILES for N'-(ethylamino)benzenecarboximidamide;hydroiodide is CCN/N=C(\N)c1ccccc1.I.
What is the InChIKey of N'-(ethylamino)benzenecarboximidamide;hydroiodide?
The InChIKey is RSSMNJMORKIRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.HI/c1-2-11-12-9(10)8-6-4-3-5-7-8;/h3-7,11H,2H2,1H3,(H2,10,12);1H.
What are the key properties of N'-(ethylamino)benzenecarboximidamide;hydroiodide?
N'-(ethylamino)benzenecarboximidamide;hydroiodide has a molecular weight of 291.14 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(ethylamino)benzenecarboximidamide;hydroiodide is sourced from PubChem (CID 143177355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).