4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide

C11H17N3O2 — CID 60981592

IUPAC4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(CCO)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C11H17N3O2/c1-2-14(7-8-15)10-5-3-9(4-6-10)11(12)13-16/h3-6,15-16H,2,7-8H2,1H3,(H2,12,13)
InChIKeyQORQBPUKOMVWNS-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.60
Rot. Bonds5

About 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide

4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 60981592) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID60981592
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(CCO)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C11H17N3O2/c1-2-14(7-8-15)10-5-3-9(4-6-10)11(12)13-16/h3-6,15-16H,2,7-8H2,1H3,(H2,12,13)
InChIKeyQORQBPUKOMVWNS-UHFFFAOYSA-N
XLogP0.60
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.60
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

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107480053
4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 60980240
5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990515
4-[ethyl(2-hydroxyethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 54879747
4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398948
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
CID 143733505
1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine
CID 168605994
ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate
CID 71344599
zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride
CID 91997517
2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol
CID 22734616

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 60981592) is 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide is CCN(CCO)c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is QORQBPUKOMVWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-14(7-8-15)10-5-3-9(4-6-10)11(12)13-16/h3-6,15-16H,2,7-8H2,1H3,(H2,12,13).
What are the key properties of 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 223.28 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 60981592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).