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

C12H23NO2 — CID 106654901

IUPAC1-(cyclohepten-1-yl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)C1=CCCCCC1
InChIInChI=1S/C12H23NO2/c1-15-9-8-13-10-12(14)11-6-4-2-3-5-7-11/h6,12-14H,2-5,7-10H2,1H3
InChIKeyXDBUEPQLUMFOEW-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.47
Rot. Bonds6

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

1-(cyclohepten-1-yl)-2-(2-methoxyethylamino)ethanol (PubChem CID 106654901) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(2-methoxyethylamino)ethanol
PubChem CID106654901
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(cyclohepten-1-yl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNCC(O)C1=CCCCCC1
InChIInChI=1S/C12H23NO2/c1-15-9-8-13-10-12(14)11-6-4-2-3-5-7-11/h6,12-14H,2-5,7-10H2,1H3
InChIKeyXDBUEPQLUMFOEW-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

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
(2E,3Z)-1-(azepan-2-yl)-2-ethylidenehexa-3,5-dien-1-ol
CID 155088663
2-[10-Hydroxy-11-(octylamino)undecyl]cyclohexa-1,5-diene-1,3-diol
CID 164127239
[(4R)-4-(ethylamino)cyclohepten-1-yl]methanol
CID 166839766
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
2-Amino-1-(cyclohepten-1-yl)ethanol
CID 106651473
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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(2-methoxyethylamino)ethanol (CID 106654901) is 1-(cyclohepten-1-yl)-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(2-methoxyethylamino)ethanol is COCCNCC(O)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(2-methoxyethylamino)ethanol?
The InChIKey is XDBUEPQLUMFOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-15-9-8-13-10-12(14)11-6-4-2-3-5-7-11/h6,12-14H,2-5,7-10H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-(2-methoxyethylamino)ethanol?
1-(cyclohepten-1-yl)-2-(2-methoxyethylamino)ethanol 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 1-(cyclohepten-1-yl)-2-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 106654901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).