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

C8H19N3O2 — CID 60979840

IUPAC4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESCCN(CCO)CCC/C(N)=N/O
InChIInChI=1S/C8H19N3O2/c1-2-11(6-7-12)5-3-4-8(9)10-13/h12-13H,2-7H2,1H3,(H2,9,10)
InChIKeyJGQRGMQCXTZKET-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.17
Rot. Bonds7

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

4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (PubChem CID 60979840) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
PubChem CID60979840
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESCCN(CCO)CCC/C(N)=N/O
InChIInChI=1S/C8H19N3O2/c1-2-11(6-7-12)5-3-4-8(9)10-13/h12-13H,2-7H2,1H3,(H2,9,10)
InChIKeyJGQRGMQCXTZKET-UHFFFAOYSA-N
XLogP-0.17
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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'}

Analyze 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (CID 60979840) is 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is CCN(CCO)CCC/C(N)=N/O.
What is the InChIKey of 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is JGQRGMQCXTZKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-2-11(6-7-12)5-3-4-8(9)10-13/h12-13H,2-7H2,1H3,(H2,9,10).
What are the key properties of 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 189.26 g/mol, XLogP of -0.17, 7 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'-hydroxybutanimidamide is sourced from PubChem (CID 60979840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).