1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol

C13H25NO — CID 106654890

IUPAC1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)C1=CCCCCCC1
InChIInChI=1S/C13H25NO/c1-11(2)14-10-13(15)12-8-6-4-3-5-7-9-12/h8,11,13-15H,3-7,9-10H2,1-2H3
InChIKeyGVGVPZHFVYZBJQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds4

About 1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol

1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol (PubChem CID 106654890) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol
PubChem CID106654890
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)C1=CCCCCCC1
InChIInChI=1S/C13H25NO/c1-11(2)14-10-13(15)12-8-6-4-3-5-7-9-12/h8,11,13-15H,3-7,9-10H2,1-2H3
InChIKeyGVGVPZHFVYZBJQ-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

cis-(1R,2R,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol
CID 24936063
2-Amino-1-cyclooct-1-enyl-ethanol
CID 44272154
(4z)-8-(Methylamino)cyclooct-4-en-1-ol
CID 12379044
2-Amino-1-(cycloocten-1-yl)ethanol
CID 54016638
(E)-1-piperidin-2-ylpent-3-en-2-ol
CID 6377936
3-[3-(Butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
CID 10330722
(2S,6R)-4-ethyl-6-(hexylamino)cyclohex-4-ene-1,2,3-triol
CID 60041215
(1R,2S)-2-amino-1-(cycloocten-1-yl)propane-1,3-diol
CID 69703619
(1R,2S)-2-(ethylamino)-1-(2-ethylcyclopenten-1-yl)-3-methylbutan-1-ol
CID 70669966
(1R,2S)-2-amino-1-[(1E)-cycloocten-1-yl]propane-1,3-diol
CID 87956472
(1R,2S)-2-amino-1-[(1Z)-cycloocten-1-yl]propane-1,3-diol
CID 87956474
1-[(4-Hydroxy-5-methylhex-5-en-3-yl)amino]octadecan-1-ol
CID 91342522

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol (CID 106654890) is 1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol?
The InChIKey is GVGVPZHFVYZBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)14-10-13(15)12-8-6-4-3-5-7-9-12/h8,11,13-15H,3-7,9-10H2,1-2H3.
What are the key properties of 1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol?
1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol 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 1-(cycloocten-1-yl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 106654890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).