6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol

C12H23NO2 — CID 103738015

IUPAC6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
SMILESOCCCCCCN1CC2CCC(C1)O2
InChIInChI=1S/C12H23NO2/c14-8-4-2-1-3-7-13-9-11-5-6-12(10-13)15-11/h11-12,14H,1-10H2
InChIKeyFLCBYRISABMNLK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.40
Rot. Bonds6

About 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol

6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol (PubChem CID 103738015) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
PubChem CID103738015
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
SMILESOCCCCCCN1CC2CCC(C1)O2
InChIInChI=1S/C12H23NO2/c14-8-4-2-1-3-7-13-9-11-5-6-12(10-13)15-11/h11-12,14H,1-10H2
InChIKeyFLCBYRISABMNLK-UHFFFAOYSA-N
XLogP1.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol?
The IUPAC name of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol (CID 103738015) is 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol.
What is the SMILES notation for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol?
The canonical SMILES for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol is OCCCCCCN1CC2CCC(C1)O2.
What is the InChIKey of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol?
The InChIKey is FLCBYRISABMNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-8-4-2-1-3-7-13-9-11-5-6-12(10-13)15-11/h11-12,14H,1-10H2.
What are the key properties of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol?
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol is sourced from PubChem (CID 103738015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).