4-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

C10H23N3O3 — CID 77062913

IUPAC4-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCN(CCO)CCO)C(N)=NO
InChIInChI=1S/C10H23N3O3/c1-10(2,9(11)12-16)3-4-13(5-7-14)6-8-15/h14-16H,3-8H2,1-2H3,(H2,11,12)
InChIKeyWXEIICKMIVKOTO-UHFFFAOYSA-N
MW233.31 g/mol
LogP-0.56
Rot. Bonds8

About 4-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062913) has the molecular formula C10H23N3O3 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062913
Molecular FormulaC10H23N3O3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC Name4-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCN(CCO)CCO)C(N)=NO
InChIInChI=1S/C10H23N3O3/c1-10(2,9(11)12-16)3-4-13(5-7-14)6-8-15/h14-16H,3-8H2,1-2H3,(H2,11,12)
InChIKeyWXEIICKMIVKOTO-UHFFFAOYSA-N
XLogP-0.56
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.56
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'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062913) is 4-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCN(CCO)CCO)C(N)=NO.
What is the InChIKey of 4-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is WXEIICKMIVKOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3/c1-10(2,9(11)12-16)3-4-13(5-7-14)6-8-15/h14-16H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of 4-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 233.31 g/mol, XLogP of -0.56, 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'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).