2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide

C8H16N2O2 — CID 77124799

IUPAC2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide
SMILESNC(COCC1CCCC1)=NO
InChIInChI=1S/C8H16N2O2/c9-8(10-11)6-12-5-7-3-1-2-4-7/h7,11H,1-6H2,(H2,9,10)
InChIKeyXMSVUDDUYKIVTO-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.94
Rot. Bonds4

About 2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide

2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide (PubChem CID 77124799) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide
PubChem CID77124799
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide
SMILESNC(COCC1CCCC1)=NO
InChIInChI=1S/C8H16N2O2/c9-8(10-11)6-12-5-7-3-1-2-4-7/h7,11H,1-6H2,(H2,9,10)
InChIKeyXMSVUDDUYKIVTO-UHFFFAOYSA-N
XLogP0.94
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide (CID 77124799) is 2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide is NC(COCC1CCCC1)=NO.
What is the InChIKey of 2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide?
The InChIKey is XMSVUDDUYKIVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-8(10-11)6-12-5-7-3-1-2-4-7/h7,11H,1-6H2,(H2,9,10).
What are the key properties of 2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide?
2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide has a molecular weight of 172.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-N'-hydroxyethanimidamide is sourced from PubChem (CID 77124799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).