2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol

C13H25NO — CID 106654928

IUPAC2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)C1=CCCCCCC1
InChIInChI=1S/C13H25NO/c1-3-14-11-13(2,15)12-9-7-5-4-6-8-10-12/h9,14-15H,3-8,10-11H2,1-2H3
InChIKeyWQNWFEWUWAQDKW-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds4

About 2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol

2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol (PubChem CID 106654928) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol
PubChem CID106654928
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)C1=CCCCCCC1
InChIInChI=1S/C13H25NO/c1-3-14-11-13(2,15)12-9-7-5-4-6-8-10-12/h9,14-15H,3-8,10-11H2,1-2H3
InChIKeyWQNWFEWUWAQDKW-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexen-1-yl)-4-(ethylamino)butan-2-ol
CID 106654909
2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol
CID 106651627
2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
2-(cyclohexen-1-yl)pentane-2,4-diol
CID 14546133
2-(cyclohexen-1-yl)-4-(2-methylpropylamino)butan-2-ol
CID 106654920
2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol
CID 106651664
2-[(1E)-cycloocten-1-yl]-1-(2-fluorophenyl)propan-2-ol
CID 106651662
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 106650901
2-(cyclohexen-1-yl)-2-ethyl-N-propylbutan-1-amine
CID 116662260
2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol
CID 62773195
2-(cyclohexen-1-yl)but-3-en-2-ol
CID 11332570
2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol
CID 106651265

Frequently Asked Questions

What is the IUPAC name of 2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol?
The IUPAC name of 2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol (CID 106654928) is 2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol.
What is the SMILES notation for 2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol?
The canonical SMILES for 2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol is CCNCC(C)(O)C1=CCCCCCC1.
What is the InChIKey of 2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol?
The InChIKey is WQNWFEWUWAQDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-14-11-13(2,15)12-9-7-5-4-6-8-10-12/h9,14-15H,3-8,10-11H2,1-2H3.
What are the key properties of 2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol?
2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol is sourced from PubChem (CID 106654928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).