7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane

C10H19NO — CID 131652458

IUPAC7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane
SMILESCC(C)COC1C2CCC1NC2
InChIInChI=1S/C10H19NO/c1-7(2)6-12-10-8-3-4-9(10)11-5-8/h7-11H,3-6H2,1-2H3
InChIKeyPWCPEWBPLJEVOX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds3

About 7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane

7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane (PubChem CID 131652458) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane
PubChem CID131652458
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane
SMILESCC(C)COC1C2CCC1NC2
InChIInChI=1S/C10H19NO/c1-7(2)6-12-10-8-3-4-9(10)11-5-8/h7-11H,3-6H2,1-2H3
InChIKeyPWCPEWBPLJEVOX-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane (CID 131652458) is 7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane is CC(C)COC1C2CCC1NC2.
What is the InChIKey of 7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane?
The InChIKey is PWCPEWBPLJEVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)6-12-10-8-3-4-9(10)11-5-8/h7-11H,3-6H2,1-2H3.
What are the key properties of 7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane?
7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane has a molecular weight of 169.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131652458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).