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

C10H19NO — CID 128704551

IUPAC8-butyl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCCCCN1C2CCC1COC2
InChIInChI=1S/C10H19NO/c1-2-3-6-11-9-4-5-10(11)8-12-7-9/h9-10H,2-8H2,1H3
InChIKeyBCEMBWGFDANIFB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.65
Rot. Bonds3

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

8-butyl-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 128704551) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 8-butyl-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-butyl-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID128704551
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name8-butyl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCCCCN1C2CCC1COC2
InChIInChI=1S/C10H19NO/c1-2-3-6-11-9-4-5-10(11)8-12-7-9/h9-10H,2-8H2,1H3
InChIKeyBCEMBWGFDANIFB-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 8-butyl-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-butyl-3-oxa-8-azabicyclo[3.2.1]octane (CID 128704551) is 8-butyl-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-butyl-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-butyl-3-oxa-8-azabicyclo[3.2.1]octane is CCCCN1C2CCC1COC2.
What is the InChIKey of 8-butyl-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is BCEMBWGFDANIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-6-11-9-4-5-10(11)8-12-7-9/h9-10H,2-8H2,1H3.
What are the key properties of 8-butyl-3-oxa-8-azabicyclo[3.2.1]octane?
8-butyl-3-oxa-8-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 8-butyl-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 128704551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).