N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide

C12H17N3O — CID 114617394

IUPACN'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide
SMILESC=C(C)CNCc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C12H17N3O/c1-9(2)7-14-8-10-4-3-5-11(6-10)12(13)15-16/h3-6,14,16H,1,7-8H2,2H3,(H2,13,15)
InChIKeyGJXOGBIPQAAXAE-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.45
Rot. Bonds5

About N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide

N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide (PubChem CID 114617394) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide
PubChem CID114617394
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide
SMILESC=C(C)CNCc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C12H17N3O/c1-9(2)7-14-8-10-4-3-5-11(6-10)12(13)15-16/h3-6,14,16H,1,7-8H2,2H3,(H2,13,15)
InChIKeyGJXOGBIPQAAXAE-UHFFFAOYSA-N
XLogP1.45
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.45
H-Bond Donors ≤ 53
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]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'-hydroxy-3-(propylaminomethyl)benzenecarboximidamide
CID 77028524
N-ethyl-2-[[3-(N'-hydroxycarbamimidoyl)phenyl]methylamino]acetamide
CID 77030457
3-[(2,2-dimethylpropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032714
N'-hydroxy-3-[[(2-hydroxy-2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 77056345
N'-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]benzenecarboximidamide
CID 77028839
N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide
CID 83144415
3-[(but-3-ynylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77028067
N'-hydroxy-3-[(4-methylsulfanylbutylamino)methyl]benzenecarboximidamide
CID 113487670
3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 106033800
3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77029542
N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide
CID 114959565
N'-hydroxy-3-[(2-methylpentan-3-ylamino)methyl]benzenecarboximidamide
CID 77032298

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide (CID 114617394) is N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide is C=C(C)CNCc1cccc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide?
The InChIKey is GJXOGBIPQAAXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(2)7-14-8-10-4-3-5-11(6-10)12(13)15-16/h3-6,14,16H,1,7-8H2,2H3,(H2,13,15).
What are the key properties of N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide?
N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide has a molecular weight of 219.29 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide is sourced from PubChem (CID 114617394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).