2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol

C13H23NO2 — CID 20649906

IUPAC2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol
SMILESCCCCC(CO)NCC1CC2C=CC1O2
InChIInChI=1S/C13H23NO2/c1-2-3-4-11(9-15)14-8-10-7-12-5-6-13(10)16-12/h5-6,10-15H,2-4,7-9H2,1H3
InChIKeyKGALAQOAPVFLIC-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.47
Rot. Bonds7

About 2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol

2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol (PubChem CID 20649906) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol.

Molecular Properties

Compound Name2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol
PubChem CID20649906
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol
SMILESCCCCC(CO)NCC1CC2C=CC1O2
InChIInChI=1S/C13H23NO2/c1-2-3-4-11(9-15)14-8-10-7-12-5-6-13(10)16-12/h5-6,10-15H,2-4,7-9H2,1H3
InChIKeyKGALAQOAPVFLIC-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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'}

Analyze 2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol?
The IUPAC name of 2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol (CID 20649906) is 2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol.
What is the SMILES notation for 2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol?
The canonical SMILES for 2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol is CCCCC(CO)NCC1CC2C=CC1O2.
What is the InChIKey of 2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol?
The InChIKey is KGALAQOAPVFLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-3-4-11(9-15)14-8-10-7-12-5-6-13(10)16-12/h5-6,10-15H,2-4,7-9H2,1H3.
What are the key properties of 2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol?
2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethylamino)hexan-1-ol is sourced from PubChem (CID 20649906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).