2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide

C12H19N3O — CID 43265830

IUPAC2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(c1ccccc1/C(N)=N/O)C(C)C
InChIInChI=1S/C12H19N3O/c1-4-15(9(2)3)11-8-6-5-7-10(11)12(13)14-16/h5-9,16H,4H2,1-3H3,(H2,13,14)
InChIKeyIREPTBVZZUBFGI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.02
Rot. Bonds4

About 2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide

2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 43265830) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID43265830
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(c1ccccc1/C(N)=N/O)C(C)C
InChIInChI=1S/C12H19N3O/c1-4-15(9(2)3)11-8-6-5-7-10(11)12(13)14-16/h5-9,16H,4H2,1-3H3,(H2,13,14)
InChIKeyIREPTBVZZUBFGI-UHFFFAOYSA-N
XLogP2.02
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide 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

2-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999576
5-bromo-2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892388
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999381
2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43268814
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938948
2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 55226951
2-[cyclohexyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 53408930
5-bromo-2-[butan-2-yl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892396
2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide
CID 76923932
N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide
CID 43294941
5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 77004426
2-chloro-N'-hydroxy-6-[propan-2-yl(propyl)amino]benzenecarboximidamide
CID 55079599

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide (CID 43265830) is 2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide is CCN(c1ccccc1/C(N)=N/O)C(C)C.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is IREPTBVZZUBFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-15(9(2)3)11-8-6-5-7-10(11)12(13)14-16/h5-9,16H,4H2,1-3H3,(H2,13,14).
What are the key properties of 2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide?
2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 221.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43265830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).