1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane

C9H17NO — CID 123489694

IUPAC1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2(C)CC1CO2
InChIInChI=1S/C9H17NO/c1-7(2)10-6-9(3)4-8(10)5-11-9/h7-8H,4-6H2,1-3H3
InChIKeyXEWHFDPDXGYNRL-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.26
Rot. Bonds1

About 1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane

1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 123489694) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID123489694
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2(C)CC1CO2
InChIInChI=1S/C9H17NO/c1-7(2)10-6-9(3)4-8(10)5-11-9/h7-8H,4-6H2,1-3H3
InChIKeyXEWHFDPDXGYNRL-UHFFFAOYSA-N
XLogP1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 123489694) is 1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane is CC(C)N1CC2(C)CC1CO2.
What is the InChIKey of 1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is XEWHFDPDXGYNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)10-6-9(3)4-8(10)5-11-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 155.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 123489694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).