1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane

C9H19NO — CID 164868618

IUPAC1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane
SMILESCC.CN1CC2(C)CC1CO2
InChIInChI=1S/C7H13NO.C2H6/c1-7-3-6(4-9-7)8(2)5-7;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyBNPYDSVLTITOCK-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds

About 1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane

1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane (PubChem CID 164868618) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane.

Molecular Properties

Compound Name1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane
PubChem CID164868618
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane
SMILESCC.CN1CC2(C)CC1CO2
InChIInChI=1S/C7H13NO.C2H6/c1-7-3-6(4-9-7)8(2)5-7;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyBNPYDSVLTITOCK-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane?
The IUPAC name of 1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane (CID 164868618) is 1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane.
What is the SMILES notation for 1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane?
The canonical SMILES for 1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane is CC.CN1CC2(C)CC1CO2.
What is the InChIKey of 1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane?
The InChIKey is BNPYDSVLTITOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c1-7-3-6(4-9-7)8(2)5-7;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of 1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane?
1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane has a molecular weight of 157.26 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;ethane is sourced from PubChem (CID 164868618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).