3-hexoxy-N'-hydroxypentanimidamide

C11H24N2O2 — CID 43175332

IUPAC3-hexoxy-N'-hydroxypentanimidamide
SMILESCCCCCCOC(CC)C/C(N)=N/O
InChIInChI=1S/C11H24N2O2/c1-3-5-6-7-8-15-10(4-2)9-11(12)13-14/h10,14H,3-9H2,1-2H3,(H2,12,13)
InChIKeyNKLDIPFFZJKQNW-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.50
Rot. Bonds9

About 3-hexoxy-N'-hydroxypentanimidamide

3-hexoxy-N'-hydroxypentanimidamide (PubChem CID 43175332) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-hexoxy-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-hexoxy-N'-hydroxypentanimidamide
PubChem CID43175332
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-hexoxy-N'-hydroxypentanimidamide
SMILESCCCCCCOC(CC)C/C(N)=N/O
InChIInChI=1S/C11H24N2O2/c1-3-5-6-7-8-15-10(4-2)9-11(12)13-14/h10,14H,3-9H2,1-2H3,(H2,12,13)
InChIKeyNKLDIPFFZJKQNW-UHFFFAOYSA-N
XLogP2.50
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.50
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 3-hexoxy-N'-hydroxypentanimidamide?
The IUPAC name of 3-hexoxy-N'-hydroxypentanimidamide (CID 43175332) is 3-hexoxy-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-hexoxy-N'-hydroxypentanimidamide?
The canonical SMILES for 3-hexoxy-N'-hydroxypentanimidamide is CCCCCCOC(CC)C/C(N)=N/O.
What is the InChIKey of 3-hexoxy-N'-hydroxypentanimidamide?
The InChIKey is NKLDIPFFZJKQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-5-6-7-8-15-10(4-2)9-11(12)13-14/h10,14H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of 3-hexoxy-N'-hydroxypentanimidamide?
3-hexoxy-N'-hydroxypentanimidamide has a molecular weight of 216.32 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-N'-hydroxypentanimidamide is sourced from PubChem (CID 43175332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).