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

C6H15N3O3 — CID 61235232

IUPAC2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(CCO)CCO)=NO
InChIInChI=1S/C6H15N3O3/c7-6(8-12)5-9(1-3-10)2-4-11/h10-12H,1-5H2,(H2,7,8)
InChIKeyRQAATTBUOVILMK-UHFFFAOYSA-N
MW177.20 g/mol
LogP-1.98
Rot. Bonds6

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

2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 61235232) has the molecular formula C6H15N3O3 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
PubChem CID61235232
Molecular FormulaC6H15N3O3
Molecular Weight177.20 g/mol
Exact Mass177.11
IUPAC Name2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(CCO)CCO)=NO
InChIInChI=1S/C6H15N3O3/c7-6(8-12)5-9(1-3-10)2-4-11/h10-12H,1-5H2,(H2,7,8)
InChIKeyRQAATTBUOVILMK-UHFFFAOYSA-N
XLogP-1.98
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.98
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 2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide (CID 61235232) is 2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide is NC(CN(CCO)CCO)=NO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is RQAATTBUOVILMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3/c7-6(8-12)5-9(1-3-10)2-4-11/h10-12H,1-5H2,(H2,7,8).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide?
2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 177.20 g/mol, XLogP of -1.98, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 61235232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).