2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol

C12H23NO2 — CID 62325811

IUPAC2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol
SMILESOCCOCCNCCC1=CCCCC1
InChIInChI=1S/C12H23NO2/c14-9-11-15-10-8-13-7-6-12-4-2-1-3-5-12/h4,13-14H,1-3,5-11H2
InChIKeyXVRDZCWMIQJQFG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.48
Rot. Bonds8

About 2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol

2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol (PubChem CID 62325811) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol
PubChem CID62325811
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol
SMILESOCCOCCNCCC1=CCCCC1
InChIInChI=1S/C12H23NO2/c14-9-11-15-10-8-13-7-6-12-4-2-1-3-5-12/h4,13-14H,1-3,5-11H2
InChIKeyXVRDZCWMIQJQFG-UHFFFAOYSA-N
XLogP1.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol (CID 62325811) is 2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol is OCCOCCNCCC1=CCCCC1.
What is the InChIKey of 2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol?
The InChIKey is XVRDZCWMIQJQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-9-11-15-10-8-13-7-6-12-4-2-1-3-5-12/h4,13-14H,1-3,5-11H2.
What are the key properties of 2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol?
2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol has a molecular weight of 213.32 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(cyclohexen-1-yl)ethylamino]ethoxy]ethanol is sourced from PubChem (CID 62325811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).