3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane

C10H19NO — CID 129066820

IUPAC3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane
SMILESCC(C)CC1CC2CC(CO2)N1
InChIInChI=1S/C10H19NO/c1-7(2)3-8-4-10-5-9(11-8)6-12-10/h7-11H,3-6H2,1-2H3
InChIKeyUYBQEEAHPQZJJY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.55
Rot. Bonds2

About 3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane

3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane (PubChem CID 129066820) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane
PubChem CID129066820
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane
SMILESCC(C)CC1CC2CC(CO2)N1
InChIInChI=1S/C10H19NO/c1-7(2)3-8-4-10-5-9(11-8)6-12-10/h7-11H,3-6H2,1-2H3
InChIKeyUYBQEEAHPQZJJY-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane (CID 129066820) is 3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane is CC(C)CC1CC2CC(CO2)N1.
What is the InChIKey of 3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane?
The InChIKey is UYBQEEAHPQZJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)3-8-4-10-5-9(11-8)6-12-10/h7-11H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane?
3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane has a molecular weight of 169.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.1]octane is sourced from PubChem (CID 129066820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).