2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide

C8H19N3O2 — CID 61446224

IUPAC2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
SMILESCCCCN(CCO)CC(N)=NO
InChIInChI=1S/C8H19N3O2/c1-2-3-4-11(5-6-12)7-8(9)10-13/h12-13H,2-7H2,1H3,(H2,9,10)
InChIKeyWUXOQHYWNVIJAB-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.17
Rot. Bonds7

About 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide

2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 61446224) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
PubChem CID61446224
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
SMILESCCCCN(CCO)CC(N)=NO
InChIInChI=1S/C8H19N3O2/c1-2-3-4-11(5-6-12)7-8(9)10-13/h12-13H,2-7H2,1H3,(H2,9,10)
InChIKeyWUXOQHYWNVIJAB-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide (CID 61446224) is 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide is CCCCN(CCO)CC(N)=NO.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is WUXOQHYWNVIJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-2-3-4-11(5-6-12)7-8(9)10-13/h12-13H,2-7H2,1H3,(H2,9,10).
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide 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 2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 61446224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).