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

C13H23NO2 — CID 115756897

IUPAC2-(cyclohex-3-en-1-ylmethylamino)-1-(oxolan-3-yl)ethanol
SMILESOC(CNCC1CC=CCC1)C1CCOC1
InChIInChI=1S/C13H23NO2/c15-13(12-6-7-16-10-12)9-14-8-11-4-2-1-3-5-11/h1-2,11-15H,3-10H2
InChIKeyUMRKOGCQRFJROS-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.33
Rot. Bonds5

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

2-(cyclohex-3-en-1-ylmethylamino)-1-(oxolan-3-yl)ethanol (PubChem CID 115756897) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)-1-(oxolan-3-yl)ethanol
PubChem CID115756897
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)-1-(oxolan-3-yl)ethanol
SMILESOC(CNCC1CC=CCC1)C1CCOC1
InChIInChI=1S/C13H23NO2/c15-13(12-6-7-16-10-12)9-14-8-11-4-2-1-3-5-11/h1-2,11-15H,3-10H2
InChIKeyUMRKOGCQRFJROS-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
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-ylmethylamino)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-1-(oxolan-3-yl)ethanol (CID 115756897) is 2-(cyclohex-3-en-1-ylmethylamino)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)-1-(oxolan-3-yl)ethanol is OC(CNCC1CC=CCC1)C1CCOC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)-1-(oxolan-3-yl)ethanol?
The InChIKey is UMRKOGCQRFJROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-13(12-6-7-16-10-12)9-14-8-11-4-2-1-3-5-11/h1-2,11-15H,3-10H2.
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)-1-(oxolan-3-yl)ethanol?
2-(cyclohex-3-en-1-ylmethylamino)-1-(oxolan-3-yl)ethanol has a molecular weight of 225.33 g/mol, XLogP of 1.33, 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-ylmethylamino)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 115756897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).