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

C12H23NO3 — CID 90920631

IUPAC2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCNC1=CCCCC1
InChIInChI=1S/C12H23NO3/c14-7-9-16-11-10-15-8-6-13-12-4-2-1-3-5-12/h4,13-14H,1-3,5-11H2
InChIKeyJGMOWRYWBDUORD-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.06
Rot. Bonds9

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

2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethanol (PubChem CID 90920631) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethanol
PubChem CID90920631
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCNC1=CCCCC1
InChIInChI=1S/C12H23NO3/c14-7-9-16-11-10-15-8-6-13-12-4-2-1-3-5-12/h4,13-14H,1-3,5-11H2
InChIKeyJGMOWRYWBDUORD-UHFFFAOYSA-N
XLogP1.06
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethanol (CID 90920631) is 2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethanol is OCCOCCOCCNC1=CCCCC1.
What is the InChIKey of 2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethanol?
The InChIKey is JGMOWRYWBDUORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c14-7-9-16-11-10-15-8-6-13-12-4-2-1-3-5-12/h4,13-14H,1-3,5-11H2.
What are the key properties of 2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethanol?
2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethanol has a molecular weight of 229.32 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 90920631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).