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

C11H21NO2 — CID 106654900

IUPAC1-(cyclohexen-1-yl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)C1=CCCCC1
InChIInChI=1S/C11H21NO2/c1-14-8-7-12-9-11(13)10-5-3-2-4-6-10/h5,11-13H,2-4,6-9H2,1H3
InChIKeyJEFOQAMNNJMNAD-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.08
Rot. Bonds6

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

1-(cyclohexen-1-yl)-2-(2-methoxyethylamino)ethanol (PubChem CID 106654900) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(2-methoxyethylamino)ethanol
PubChem CID106654900
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(cyclohexen-1-yl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)C1=CCCCC1
InChIInChI=1S/C11H21NO2/c1-14-8-7-12-9-11(13)10-5-3-2-4-6-10/h5,11-13H,2-4,6-9H2,1H3
InChIKeyJEFOQAMNNJMNAD-UHFFFAOYSA-N
XLogP1.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.08
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

cis-(1R,2R,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol
CID 24936063
3-[3-(Butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
CID 10330722
N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide
CID 118920479
(12E)-12-ethenyl-1-(octylamino)pentadeca-12,14-diene-2,13-diol;methanol
CID 141827297
4-Ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol
CID 147309129
2-[10-Hydroxy-11-(octylamino)undecyl]cyclohexa-1,5-diene-1,3-diol
CID 164127239
4-[2-(Butylamino)-1-hydroxyethyl]cyclohexa-1,3-dien-1-ol
CID 164147566
cis-(1S,2S,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol
CID 24937779
(2S,3R,4E)-2-(hydroxymethyl)-4-tetradecylidenepiperidin-3-ol
CID 42645676
(2S,3R,4E)-2-(hydroxymethyl)-4-[(2R)-2-hydroxytetradecylidene]piperidin-3-ol
CID 42645677
1-[2-(Cyclohexen-1-yl)ethylamino]butan-2-ol
CID 62325451
1-(Cyclopenten-1-yl)-2-(methylamino)ethanol
CID 84013452

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(2-methoxyethylamino)ethanol (CID 106654900) is 1-(cyclohexen-1-yl)-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(2-methoxyethylamino)ethanol is COCCNCC(O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(2-methoxyethylamino)ethanol?
The InChIKey is JEFOQAMNNJMNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-14-8-7-12-9-11(13)10-5-3-2-4-6-10/h5,11-13H,2-4,6-9H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(2-methoxyethylamino)ethanol?
1-(cyclohexen-1-yl)-2-(2-methoxyethylamino)ethanol has a molecular weight of 199.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 106654900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).