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

C10H19NO2 — CID 91090721

IUPAC2-[2-(cyclohexen-1-ylamino)ethoxy]ethanol
SMILESOCCOCCNC1=CCCCC1
InChIInChI=1S/C10H19NO2/c12-7-9-13-8-6-11-10-4-2-1-3-5-10/h4,11-12H,1-3,5-9H2
InChIKeyOJJOHLNXUJOKDL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.04
Rot. Bonds6

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

2-[2-(cyclohexen-1-ylamino)ethoxy]ethanol (PubChem CID 91090721) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-ylamino)ethoxy]ethanol
PubChem CID91090721
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[2-(cyclohexen-1-ylamino)ethoxy]ethanol
SMILESOCCOCCNC1=CCCCC1
InChIInChI=1S/C10H19NO2/c12-7-9-13-8-6-11-10-4-2-1-3-5-10/h4,11-12H,1-3,5-9H2
InChIKeyOJJOHLNXUJOKDL-UHFFFAOYSA-N
XLogP1.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.04
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-(cyclohexen-1-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(cyclohexen-1-ylamino)ethoxy]ethanol (CID 91090721) is 2-[2-(cyclohexen-1-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(cyclohexen-1-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(cyclohexen-1-ylamino)ethoxy]ethanol is OCCOCCNC1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-ylamino)ethoxy]ethanol?
The InChIKey is OJJOHLNXUJOKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-7-9-13-8-6-11-10-4-2-1-3-5-10/h4,11-12H,1-3,5-9H2.
What are the key properties of 2-[2-(cyclohexen-1-ylamino)ethoxy]ethanol?
2-[2-(cyclohexen-1-ylamino)ethoxy]ethanol has a molecular weight of 185.27 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-ylamino)ethoxy]ethanol is sourced from PubChem (CID 91090721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).