3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane

C8H15NO — CID 58019078

IUPAC3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane
SMILESCC1C2COC1CN(C)C2
InChIInChI=1S/C8H15NO/c1-6-7-3-9(2)4-8(6)10-5-7/h6-8H,3-5H2,1-2H3
InChIKeyWTLVOTOZLNNDSF-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.58
Rot. Bonds

About 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane

3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 58019078) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane
PubChem CID58019078
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane
SMILESCC1C2COC1CN(C)C2
InChIInChI=1S/C8H15NO/c1-6-7-3-9(2)4-8(6)10-5-7/h6-8H,3-5H2,1-2H3
InChIKeyWTLVOTOZLNNDSF-UHFFFAOYSA-N
XLogP0.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane (CID 58019078) is 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane is CC1C2COC1CN(C)C2.
What is the InChIKey of 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is WTLVOTOZLNNDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-7-3-9(2)4-8(6)10-5-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane?
3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 141.21 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-6-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58019078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).