5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide

C13H28N2O2 — CID 77063293

IUPAC5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCCCCCOCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H28N2O2/c1-4-5-6-7-10-17-11-8-9-13(2,3)12(14)15-16/h16H,4-11H2,1-3H3,(H2,14,15)
InChIKeyPEWFTEGUEJNOAX-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.14
Rot. Bonds10

About 5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide

5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063293) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063293
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCCCCCOCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H28N2O2/c1-4-5-6-7-10-17-11-8-9-13(2,3)12(14)15-16/h16H,4-11H2,1-3H3,(H2,14,15)
InChIKeyPEWFTEGUEJNOAX-UHFFFAOYSA-N
XLogP3.14
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063293) is 5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide is CCCCCCOCCCC(C)(C)C(N)=NO.
What is the InChIKey of 5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is PEWFTEGUEJNOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-5-6-7-10-17-11-8-9-13(2,3)12(14)15-16/h16H,4-11H2,1-3H3,(H2,14,15).
What are the key properties of 5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide?
5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 244.38 g/mol, XLogP of 3.14, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).