3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide

C8H19N3O2 — CID 60980113

IUPAC3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESCCN(CCO)C(C)C/C(N)=N/O
InChIInChI=1S/C8H19N3O2/c1-3-11(4-5-12)7(2)6-8(9)10-13/h7,12-13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyGLAUSELHFDQTEH-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.17
Rot. Bonds6

About 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide

3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (PubChem CID 60980113) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
PubChem CID60980113
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESCCN(CCO)C(C)C/C(N)=N/O
InChIInChI=1S/C8H19N3O2/c1-3-11(4-5-12)7(2)6-8(9)10-13/h7,12-13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyGLAUSELHFDQTEH-UHFFFAOYSA-N
XLogP-0.17
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.17
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-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 107480136
3-(dipropylamino)-N'-hydroxybutanimidamide
CID 76883738
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 76915046
N'-hydroxy-3-[pentyl(propan-2-yl)amino]butanimidamide
CID 76911929
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987881
3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide
CID 76912505
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide
CID 76987705
3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide
CID 104873509
N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide
CID 76911093
2-[ethyl(2-hydroxyethyl)amino]butanamide
CID 62900659
N'-hydroxy-3-methylhexanimidamide
CID 76589131
3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide
CID 104863498

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (CID 60980113) is 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is CCN(CCO)C(C)C/C(N)=N/O.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is GLAUSELHFDQTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-3-11(4-5-12)7(2)6-8(9)10-13/h7,12-13H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 189.26 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 60980113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).