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

C10H19NO — CID 127386338

IUPAC3-butyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCCCCN1CC2CCC(C1)O2
InChIInChI=1S/C10H19NO/c1-2-3-6-11-7-9-4-5-10(8-11)12-9/h9-10H,2-8H2,1H3
InChIKeyOZJRRLNCFJEQBB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds3

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

3-butyl-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 127386338) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-butyl-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-butyl-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID127386338
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-butyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCCCCN1CC2CCC(C1)O2
InChIInChI=1S/C10H19NO/c1-2-3-6-11-7-9-4-5-10(8-11)12-9/h9-10H,2-8H2,1H3
InChIKeyOZJRRLNCFJEQBB-UHFFFAOYSA-N
XLogP1.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-butyl-8-oxa-3-azabicyclo[3.2.1]octane (CID 127386338) is 3-butyl-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-butyl-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-butyl-8-oxa-3-azabicyclo[3.2.1]octane is CCCCN1CC2CCC(C1)O2.
What is the InChIKey of 3-butyl-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is OZJRRLNCFJEQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-6-11-7-9-4-5-10(8-11)12-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-butyl-8-oxa-3-azabicyclo[3.2.1]octane?
3-butyl-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 169.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 127386338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).