3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane

C8H15NO — CID 59699537

IUPAC3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC1NC2C(C)OC1C2C
InChIInChI=1S/C8H15NO/c1-4-7-6(3)10-8(4)5(2)9-7/h4-9H,1-3H3
InChIKeyHEOJOGULTNTGER-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.77
Rot. Bonds

About 3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane

3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 59699537) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID59699537
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC1NC2C(C)OC1C2C
InChIInChI=1S/C8H15NO/c1-4-7-6(3)10-8(4)5(2)9-7/h4-9H,1-3H3
InChIKeyHEOJOGULTNTGER-UHFFFAOYSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 59699537) is 3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane is CC1NC2C(C)OC1C2C.
What is the InChIKey of 3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is HEOJOGULTNTGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7-6(3)10-8(4)5(2)9-7/h4-9H,1-3H3.
What are the key properties of 3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane?
3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 141.21 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 59699537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).