2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol

C13H23NO2 — CID 61048978

IUPAC2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol
SMILESOCC(NCC1CCCO1)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c15-10-13(11-5-2-1-3-6-11)14-9-12-7-4-8-16-12/h1-2,11-15H,3-10H2
InChIKeyHXCNNHODRQFEDK-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.47
Rot. Bonds5

About 2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol

2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol (PubChem CID 61048978) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol
PubChem CID61048978
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol
SMILESOCC(NCC1CCCO1)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c15-10-13(11-5-2-1-3-6-11)14-9-12-7-4-8-16-12/h1-2,11-15H,3-10H2
InChIKeyHXCNNHODRQFEDK-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol?
The IUPAC name of 2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol (CID 61048978) is 2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol?
The canonical SMILES for 2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol is OCC(NCC1CCCO1)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol?
The InChIKey is HXCNNHODRQFEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-10-13(11-5-2-1-3-6-11)14-9-12-7-4-8-16-12/h1-2,11-15H,3-10H2.
What are the key properties of 2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol?
2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol has a molecular weight of 225.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-2-(oxolan-2-ylmethylamino)ethanol is sourced from PubChem (CID 61048978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).