1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol

C13H25NO2 — CID 106654902

IUPAC1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)C1=CCCCCCC1
InChIInChI=1S/C13H25NO2/c1-16-10-9-14-11-13(15)12-7-5-3-2-4-6-8-12/h7,13-15H,2-6,8-11H2,1H3
InChIKeyFDKWOMWXSBOWQT-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.86
Rot. Bonds6

About 1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol

1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol (PubChem CID 106654902) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol
PubChem CID106654902
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)C1=CCCCCCC1
InChIInChI=1S/C13H25NO2/c1-16-10-9-14-11-13(15)12-7-5-3-2-4-6-8-12/h7,13-15H,2-6,8-11H2,1H3
InChIKeyFDKWOMWXSBOWQT-UHFFFAOYSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.86
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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Related Compounds

2-Amino-1-cyclooct-1-enyl-ethanol
CID 44272154
2-Amino-1-(cycloocten-1-yl)ethanol
CID 54016638
3-[3-(Butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
CID 10330722
(12E)-12-ethenyl-1-(octylamino)pentadeca-12,14-diene-2,13-diol;methanol
CID 141827297
2-[10-Hydroxy-11-(octylamino)undecyl]cyclohexa-1,5-diene-1,3-diol
CID 164127239
1-(Cyclopenten-1-yl)-2-(methylamino)ethanol
CID 84013452
1-(Cyclohexen-1-yl)-2-(methylamino)ethanol
CID 84013564
(E)-1-(2-hydroxyethylamino)dec-8-en-2-ol
CID 101275197
Cycloocten-1-yl(piperidin-2-yl)methanol
CID 106651718
Cyclohexen-1-yl(piperidin-2-yl)methanol
CID 106651719
Cyclohepten-1-yl(piperidin-2-yl)methanol
CID 106651720
Cycloocten-1-yl(pyrrolidin-2-yl)methanol
CID 106651721

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol (CID 106654902) is 1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol is COCCNCC(O)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol?
The InChIKey is FDKWOMWXSBOWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-16-10-9-14-11-13(15)12-7-5-3-2-4-6-8-12/h7,13-15H,2-6,8-11H2,1H3.
What are the key properties of 1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol?
1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol has a molecular weight of 227.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 106654902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).