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

C8H19N3O3 — CID 61235233

IUPAC4-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESNC(CCCN(CCO)CCO)=NO
InChIInChI=1S/C8H19N3O3/c9-8(10-14)2-1-3-11(4-6-12)5-7-13/h12-14H,1-7H2,(H2,9,10)
InChIKeyVOCJILWKQXUZTB-UHFFFAOYSA-N
MW205.26 g/mol
LogP-1.20
Rot. Bonds8

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

4-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (PubChem CID 61235233) has the molecular formula C8H19N3O3 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
PubChem CID61235233
Molecular FormulaC8H19N3O3
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Name4-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESNC(CCCN(CCO)CCO)=NO
InChIInChI=1S/C8H19N3O3/c9-8(10-14)2-1-3-11(4-6-12)5-7-13/h12-14H,1-7H2,(H2,9,10)
InChIKeyVOCJILWKQXUZTB-UHFFFAOYSA-N
XLogP-1.20
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 4-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (CID 61235233) is 4-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is NC(CCCN(CCO)CCO)=NO.
What is the InChIKey of 4-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is VOCJILWKQXUZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3/c9-8(10-14)2-1-3-11(4-6-12)5-7-13/h12-14H,1-7H2,(H2,9,10).
What are the key properties of 4-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
4-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 205.26 g/mol, XLogP of -1.20, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 61235233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).