8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane

C11H21NO — CID 58404965

IUPAC8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC(C)CCN1C2CCC1COC2
InChIInChI=1S/C11H21NO/c1-9(2)5-6-12-10-3-4-11(12)8-13-7-10/h9-11H,3-8H2,1-2H3
InChIKeyCKMYARLXNUNWLJ-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.90
Rot. Bonds3

About 8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane

8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 58404965) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID58404965
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC(C)CCN1C2CCC1COC2
InChIInChI=1S/C11H21NO/c1-9(2)5-6-12-10-3-4-11(12)8-13-7-10/h9-11H,3-8H2,1-2H3
InChIKeyCKMYARLXNUNWLJ-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane (CID 58404965) is 8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane is CC(C)CCN1C2CCC1COC2.
What is the InChIKey of 8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is CKMYARLXNUNWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)5-6-12-10-3-4-11(12)8-13-7-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane?
8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 183.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbutyl)-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58404965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).