2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane

C9H17NO — CID 58469194

IUPAC2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC(C)C1OCC2CCC1N2
InChIInChI=1S/C9H17NO/c1-6(2)9-8-4-3-7(10-8)5-11-9/h6-10H,3-5H2,1-2H3
InChIKeyFQZUNAZJNHIPMN-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.16
Rot. Bonds1

About 2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane

2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 58469194) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID58469194
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC(C)C1OCC2CCC1N2
InChIInChI=1S/C9H17NO/c1-6(2)9-8-4-3-7(10-8)5-11-9/h6-10H,3-5H2,1-2H3
InChIKeyFQZUNAZJNHIPMN-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane (CID 58469194) is 2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane is CC(C)C1OCC2CCC1N2.
What is the InChIKey of 2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is FQZUNAZJNHIPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6(2)9-8-4-3-7(10-8)5-11-9/h6-10H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane?
2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 155.24 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58469194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).