2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1-(oxan-4-yl)ethanol

C15H25NO2 — CID 75378003

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1-(oxan-4-yl)ethanol
SMILESOC(CNCC1CC2C=CC1C2)C1CCOCC1
InChIInChI=1S/C15H25NO2/c17-15(12-3-5-18-6-4-12)10-16-9-14-8-11-1-2-13(14)7-11/h1-2,11-17H,3-10H2
InChIKeyMANODQBKXRYGPM-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.58
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1-(oxan-4-yl)ethanol

2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1-(oxan-4-yl)ethanol (PubChem CID 75378003) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1-(oxan-4-yl)ethanol
PubChem CID75378003
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1-(oxan-4-yl)ethanol
SMILESOC(CNCC1CC2C=CC1C2)C1CCOCC1
InChIInChI=1S/C15H25NO2/c17-15(12-3-5-18-6-4-12)10-16-9-14-8-11-1-2-13(14)7-11/h1-2,11-17H,3-10H2
InChIKeyMANODQBKXRYGPM-UHFFFAOYSA-N
XLogP1.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.58
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-enylmethylamino)-1-(oxan-4-yl)ethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1-(oxan-4-yl)ethanol (CID 75378003) is 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1-(oxan-4-yl)ethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1-(oxan-4-yl)ethanol is OC(CNCC1CC2C=CC1C2)C1CCOCC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1-(oxan-4-yl)ethanol?
The InChIKey is MANODQBKXRYGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-15(12-3-5-18-6-4-12)10-16-9-14-8-11-1-2-13(14)7-11/h1-2,11-17H,3-10H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1-(oxan-4-yl)ethanol?
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-1-(oxan-4-yl)ethanol has a molecular weight of 251.37 g/mol, XLogP of 1.58, 5 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-enylmethylamino)-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 75378003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).