2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide

C13H19N3O2 — CID 62307954

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(N(CCO)C2CC2)c1
InChIInChI=1S/C13H19N3O2/c1-9-2-5-11(13(14)15-18)12(8-9)16(6-7-17)10-3-4-10/h2,5,8,10,17-18H,3-4,6-7H2,1H3,(H2,14,15)
InChIKeyGFOUSRSSXIOEEI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.05
Rot. Bonds5

About 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide

2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 62307954) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID62307954
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(N(CCO)C2CC2)c1
InChIInChI=1S/C13H19N3O2/c1-9-2-5-11(13(14)15-18)12(8-9)16(6-7-17)10-3-4-10/h2,5,8,10,17-18H,3-4,6-7H2,1H3,(H2,14,15)
InChIKeyGFOUSRSSXIOEEI-UHFFFAOYSA-N
XLogP1.05
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

3-[[(Z)-2-(ethenylamino)-1-hydroxy-3-(methylamino)prop-2-enyl]amino]-N-fluoro-N'-hydroxy-N,4-dimethylbenzenecarboximidamide
CID 138495526
N'-hydroxy-4-[2-hydroxyethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide
CID 54879431
N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 54879441
4-[ethyl(2-hydroxyethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 54879747
3-fluoro-N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 54947066
3-fluoro-N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]benzenecarboximidamide
CID 54994077
3-Fluoro-4-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 54994564
3-fluoro-N'-hydroxy-4-[2-hydroxyethyl(propan-2-yl)amino]benzenecarboximidamide
CID 54994809
4-[cyclopropyl(2-hydroxyethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 54994954
3-Fluoro-4-[2-hydroxyethyl(propan-2-yl)amino]benzenecarboximidamide
CID 54995147
4-[Cyclopropyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide
CID 54995197
4-[ethyl(1-methoxypropan-2-yl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 55011385

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide (CID 62307954) is 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(/C(N)=N/O)c(N(CCO)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is GFOUSRSSXIOEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-2-5-11(13(14)15-18)12(8-9)16(6-7-17)10-3-4-10/h2,5,8,10,17-18H,3-4,6-7H2,1H3,(H2,14,15).
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 249.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62307954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).