2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol

C12H23NO2 — CID 106654943

IUPAC2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)C1=CCCCC1
InChIInChI=1S/C12H23NO2/c1-12(14,10-13-8-9-15-2)11-6-4-3-5-7-11/h6,13-14H,3-5,7-10H2,1-2H3
InChIKeyMQZRFFZEEHGRPB-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.47
Rot. Bonds6

About 2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol

2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol (PubChem CID 106654943) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol
PubChem CID106654943
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)C1=CCCCC1
InChIInChI=1S/C12H23NO2/c1-12(14,10-13-8-9-15-2)11-6-4-3-5-7-11/h6,13-14H,3-5,7-10H2,1-2H3
InChIKeyMQZRFFZEEHGRPB-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.47
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

1-(Cyclohexen-1-yl)-2-(methylamino)ethanol
CID 84013564
3-(Cycloocten-1-yl)piperidin-3-ol
CID 106650906
3-(Cyclohexen-1-yl)piperidin-3-ol
CID 106650907
3-(Cyclohepten-1-yl)piperidin-3-ol
CID 106650908
3-(Cyclohexen-1-yl)pyrrolidin-3-ol
CID 106650910
2-(Cyclohexen-1-yl)-1-morpholin-3-ylpropan-2-ol
CID 106651593
2-(Cyclohepten-1-yl)-1-morpholin-3-ylpropan-2-ol
CID 106651594
1-(Cyclohexen-1-yl)-2-(ethylamino)ethanol
CID 106654882
1-(Cyclohexen-1-yl)-2-(propylamino)ethanol
CID 106654885
1-(Cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol
CID 106654888
2-(Tert-butylamino)-1-(cyclohexen-1-yl)ethanol
CID 106654894
1-(Cyclohexen-1-yl)-2-(2-methylpropylamino)ethanol
CID 106654897

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol (CID 106654943) is 2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol is COCCNCC(C)(O)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol?
The InChIKey is MQZRFFZEEHGRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(14,10-13-8-9-15-2)11-6-4-3-5-7-11/h6,13-14H,3-5,7-10H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol?
2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol has a molecular weight of 213.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 106654943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).