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

C13H25NO — CID 106654887

IUPAC1-(cycloocten-1-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)C1=CCCCCCC1
InChIInChI=1S/C13H25NO/c1-2-10-14-11-13(15)12-8-6-4-3-5-7-9-12/h8,13-15H,2-7,9-11H2,1H3
InChIKeyOCHYKGFWZREOHG-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds5

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

1-(cycloocten-1-yl)-2-(propylamino)ethanol (PubChem CID 106654887) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-(propylamino)ethanol
PubChem CID106654887
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(cycloocten-1-yl)-2-(propylamino)ethanol
SMILESCCCNCC(O)C1=CCCCCCC1
InChIInChI=1S/C13H25NO/c1-2-10-14-11-13(15)12-8-6-4-3-5-7-9-12/h8,13-15H,2-7,9-11H2,1H3
InChIKeyOCHYKGFWZREOHG-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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2-Amino-1-(cycloocten-1-yl)ethanol
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3-[3-(Butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
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(Z)-1-(2-hydroxyethylamino)icos-11-en-2-ol
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1-(Cyclohexen-1-yl)-1-(methylamino)propan-2-ol
CID 123328567
(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
CID 146330582
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-(propylamino)ethanol?
The IUPAC name of 1-(cycloocten-1-yl)-2-(propylamino)ethanol (CID 106654887) is 1-(cycloocten-1-yl)-2-(propylamino)ethanol.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-(propylamino)ethanol?
The canonical SMILES for 1-(cycloocten-1-yl)-2-(propylamino)ethanol is CCCNCC(O)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-(propylamino)ethanol?
The InChIKey is OCHYKGFWZREOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-10-14-11-13(15)12-8-6-4-3-5-7-9-12/h8,13-15H,2-7,9-11H2,1H3.
What are the key properties of 1-(cycloocten-1-yl)-2-(propylamino)ethanol?
1-(cycloocten-1-yl)-2-(propylamino)ethanol has a molecular weight of 211.35 g/mol, XLogP of 2.63, 5 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-(propylamino)ethanol is sourced from PubChem (CID 106654887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).