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

C8H19N3O2 — CID 60979981

IUPAC3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCO)CC(C)/C(N)=N/O
InChIInChI=1S/C8H19N3O2/c1-3-11(4-5-12)6-7(2)8(9)10-13/h7,12-13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyLWXZVFKXPUNIJX-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.32
Rot. Bonds6

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

3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 60979981) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID60979981
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCO)CC(C)/C(N)=N/O
InChIInChI=1S/C8H19N3O2/c1-3-11(4-5-12)6-7(2)8(9)10-13/h7,12-13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyLWXZVFKXPUNIJX-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
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-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77100271
N'-hydroxy-2-methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100273
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103369277
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369278
2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369300
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103369303
3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(methyl)amino]methyl]propanimidamide
CID 103369304
2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369322
2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369323
3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]propanimidamide
CID 103369333
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103369341

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 60979981) is 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CCO)CC(C)/C(N)=N/O.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is LWXZVFKXPUNIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-3-11(4-5-12)6-7(2)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'-hydroxy-2-methylpropanimidamide?
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 189.26 g/mol, XLogP of -0.32, 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'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 60979981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).