8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane

C11H21NO — CID 91425269

IUPAC8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCCCCCN1C2CCC1COC2
InChIInChI=1S/C11H21NO/c1-2-3-4-7-12-10-5-6-11(12)9-13-8-10/h10-11H,2-9H2,1H3
InChIKeyIAYBDUNQDRICGS-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds4

About 8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane

8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 91425269) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID91425269
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCCCCCN1C2CCC1COC2
InChIInChI=1S/C11H21NO/c1-2-3-4-7-12-10-5-6-11(12)9-13-8-10/h10-11H,2-9H2,1H3
InChIKeyIAYBDUNQDRICGS-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane (CID 91425269) is 8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane is CCCCCN1C2CCC1COC2.
What is the InChIKey of 8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is IAYBDUNQDRICGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-7-12-10-5-6-11(12)9-13-8-10/h10-11H,2-9H2,1H3.
What are the key properties of 8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane?
8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 183.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pentyl-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 91425269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).