4-cyclopentyloxy-N'-hydroxybutanimidamide

C9H18N2O2 — CID 24708630

IUPAC4-cyclopentyloxy-N'-hydroxybutanimidamide
SMILESN/C(CCCOC1CCCC1)=N\O
InChIInChI=1S/C9H18N2O2/c10-9(11-12)6-3-7-13-8-4-1-2-5-8/h8,12H,1-7H2,(H2,10,11)
InChIKeyCMKAVSREHFBQSV-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.47
Rot. Bonds5

About 4-cyclopentyloxy-N'-hydroxybutanimidamide

4-cyclopentyloxy-N'-hydroxybutanimidamide (PubChem CID 24708630) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-cyclopentyloxy-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N'-hydroxybutanimidamide
PubChem CID24708630
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-cyclopentyloxy-N'-hydroxybutanimidamide
SMILESN/C(CCCOC1CCCC1)=N\O
InChIInChI=1S/C9H18N2O2/c10-9(11-12)6-3-7-13-8-4-1-2-5-8/h8,12H,1-7H2,(H2,10,11)
InChIKeyCMKAVSREHFBQSV-UHFFFAOYSA-N
XLogP1.47
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.47
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 4-cyclopentyloxy-N'-hydroxybutanimidamide?
The IUPAC name of 4-cyclopentyloxy-N'-hydroxybutanimidamide (CID 24708630) is 4-cyclopentyloxy-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-cyclopentyloxy-N'-hydroxybutanimidamide?
The canonical SMILES for 4-cyclopentyloxy-N'-hydroxybutanimidamide is N/C(CCCOC1CCCC1)=N\O.
What is the InChIKey of 4-cyclopentyloxy-N'-hydroxybutanimidamide?
The InChIKey is CMKAVSREHFBQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-9(11-12)6-3-7-13-8-4-1-2-5-8/h8,12H,1-7H2,(H2,10,11).
What are the key properties of 4-cyclopentyloxy-N'-hydroxybutanimidamide?
4-cyclopentyloxy-N'-hydroxybutanimidamide has a molecular weight of 186.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N'-hydroxybutanimidamide is sourced from PubChem (CID 24708630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).