5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide

C11H25N3O2 — CID 77064024

IUPAC5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCN(CCO)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-4-14(8-9-15)7-5-6-11(2,3)10(12)13-16/h15-16H,4-9H2,1-3H3,(H2,12,13)
InChIKeyDEJBSVOWCJJBJM-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.85
Rot. Bonds8

About 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide

5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77064024) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77064024
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCN(CCO)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O2/c1-4-14(8-9-15)7-5-6-11(2,3)10(12)13-16/h15-16H,4-9H2,1-3H3,(H2,12,13)
InChIKeyDEJBSVOWCJJBJM-UHFFFAOYSA-N
XLogP0.85
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.85
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 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77064024) is 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide is CCN(CCO)CCCC(C)(C)C(N)=NO.
What is the InChIKey of 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is DEJBSVOWCJJBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-4-14(8-9-15)7-5-6-11(2,3)10(12)13-16/h15-16H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 231.34 g/mol, XLogP of 0.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77064024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).