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

C10H23N3O2 — CID 77062860

IUPAC4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCN(CCO)CCC(C)(C)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-4-13(7-8-14)6-5-10(2,3)9(11)12-15/h14-15H,4-8H2,1-3H3,(H2,11,12)
InChIKeyKUXBZMUQJGOEMQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.46
Rot. Bonds7

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

4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062860) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062860
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCN(CCO)CCC(C)(C)C(N)=NO
InChIInChI=1S/C10H23N3O2/c1-4-13(7-8-14)6-5-10(2,3)9(11)12-15/h14-15H,4-8H2,1-3H3,(H2,11,12)
InChIKeyKUXBZMUQJGOEMQ-UHFFFAOYSA-N
XLogP0.46
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.46
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 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062860) is 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is CCN(CCO)CCC(C)(C)C(N)=NO.
What is the InChIKey of 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is KUXBZMUQJGOEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-4-13(7-8-14)6-5-10(2,3)9(11)12-15/h14-15H,4-8H2,1-3H3,(H2,11,12).
What are the key properties of 4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.46, 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'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).