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

C13H29N3O2 — CID 77064028

IUPAC5-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCCCN(CCO)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H29N3O2/c1-4-5-8-16(10-11-17)9-6-7-13(2,3)12(14)15-18/h17-18H,4-11H2,1-3H3,(H2,14,15)
InChIKeyWXPMXTJKTQUBHC-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.63
Rot. Bonds10

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

5-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77064028) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77064028
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name5-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCCCN(CCO)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H29N3O2/c1-4-5-8-16(10-11-17)9-6-7-13(2,3)12(14)15-18/h17-18H,4-11H2,1-3H3,(H2,14,15)
InChIKeyWXPMXTJKTQUBHC-UHFFFAOYSA-N
XLogP1.63
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.63
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-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77064028) is 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide is CCCCN(CCO)CCCC(C)(C)C(N)=NO.
What is the InChIKey of 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is WXPMXTJKTQUBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-4-5-8-16(10-11-17)9-6-7-13(2,3)12(14)15-18/h17-18H,4-11H2,1-3H3,(H2,14,15).
What are the key properties of 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide?
5-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 259.39 g/mol, XLogP of 1.63, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77064028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).