2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol

C9H17NO2 — CID 90702535

IUPAC2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol
SMILESOCCOCCNC1=CCCC1
InChIInChI=1S/C9H17NO2/c11-6-8-12-7-5-10-9-3-1-2-4-9/h3,10-11H,1-2,4-8H2
InChIKeyHWTHXEZZBURFIL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.65
Rot. Bonds6

About 2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol

2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol (PubChem CID 90702535) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol
PubChem CID90702535
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol
SMILESOCCOCCNC1=CCCC1
InChIInChI=1S/C9H17NO2/c11-6-8-12-7-5-10-9-3-1-2-4-9/h3,10-11H,1-2,4-8H2
InChIKeyHWTHXEZZBURFIL-UHFFFAOYSA-N
XLogP0.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol (CID 90702535) is 2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol is OCCOCCNC1=CCCC1.
What is the InChIKey of 2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol?
The InChIKey is HWTHXEZZBURFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-6-8-12-7-5-10-9-3-1-2-4-9/h3,10-11H,1-2,4-8H2.
What are the key properties of 2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol?
2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol has a molecular weight of 171.24 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopenten-1-ylamino)ethoxy]ethanol is sourced from PubChem (CID 90702535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).