2-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol

C12H21NO2 — CID 2845645

IUPAC2-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CC1CC2C=CC1C2
InChIInChI=1S/C12H21NO2/c14-5-3-13(4-6-15)9-12-8-10-1-2-11(12)7-10/h1-2,10-12,14-15H,3-9H2
InChIKeyQCDJMILMRVINOZ-UHFFFAOYSA-N
MW211.30 g/mol
LogP0.49
Rot. Bonds6

About 2-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol

2-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol (PubChem CID 2845645) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol
PubChem CID2845645
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CC1CC2C=CC1C2
InChIInChI=1S/C12H21NO2/c14-5-3-13(4-6-15)9-12-8-10-1-2-11(12)7-10/h1-2,10-12,14-15H,3-9H2
InChIKeyQCDJMILMRVINOZ-UHFFFAOYSA-N
XLogP0.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.49
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-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol (CID 2845645) is 2-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol is OCCN(CCO)CC1CC2C=CC1C2.
What is the InChIKey of 2-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol?
The InChIKey is QCDJMILMRVINOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-5-3-13(4-6-15)9-12-8-10-1-2-11(12)7-10/h1-2,10-12,14-15H,3-9H2.
What are the key properties of 2-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol?
2-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol has a molecular weight of 211.30 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bicyclo[2.2.1]hept-5-enylmethyl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 2845645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).