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

C12H23NO — CID 106654884

IUPAC1-(cycloocten-1-yl)-2-(ethylamino)ethanol
SMILESCCNCC(O)C1=CCCCCCC1
InChIInChI=1S/C12H23NO/c1-2-13-10-12(14)11-8-6-4-3-5-7-9-11/h8,12-14H,2-7,9-10H2,1H3
InChIKeySQVMUFDBDXBXAS-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds4

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

1-(cycloocten-1-yl)-2-(ethylamino)ethanol (PubChem CID 106654884) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-(ethylamino)ethanol.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-(ethylamino)ethanol
PubChem CID106654884
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(cycloocten-1-yl)-2-(ethylamino)ethanol
SMILESCCNCC(O)C1=CCCCCCC1
InChIInChI=1S/C12H23NO/c1-2-13-10-12(14)11-8-6-4-3-5-7-9-11/h8,12-14H,2-7,9-10H2,1H3
InChIKeySQVMUFDBDXBXAS-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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3-[3-(Butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
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1-(Cyclohexen-1-yl)-1-(methylamino)propan-2-ol
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(Z)-1-(methylamino)icos-11-en-2-ol
CID 140697791
(12E)-12-ethenyl-1-(octylamino)pentadeca-12,14-diene-2,13-diol;methanol
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2-amino-1-[(1E)-cyclodecen-1-yl]ethanol
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4-Ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol
CID 147309129
(1Z,3E,7Z)-4-[1-hydroxy-2-(methylamino)ethyl]cycloocta-1,3,7-triene-1,2-diol
CID 153352146

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-(ethylamino)ethanol?
The IUPAC name of 1-(cycloocten-1-yl)-2-(ethylamino)ethanol (CID 106654884) is 1-(cycloocten-1-yl)-2-(ethylamino)ethanol.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-(ethylamino)ethanol?
The canonical SMILES for 1-(cycloocten-1-yl)-2-(ethylamino)ethanol is CCNCC(O)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-(ethylamino)ethanol?
The InChIKey is SQVMUFDBDXBXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-13-10-12(14)11-8-6-4-3-5-7-9-11/h8,12-14H,2-7,9-10H2,1H3.
What are the key properties of 1-(cycloocten-1-yl)-2-(ethylamino)ethanol?
1-(cycloocten-1-yl)-2-(ethylamino)ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-(ethylamino)ethanol is sourced from PubChem (CID 106654884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).