8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane

C11H20N2O — CID 90440080

IUPAC8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C2CCC1CN(C1CCOC1)C2
InChIInChI=1S/C11H20N2O/c1-12-9-2-3-10(12)7-13(6-9)11-4-5-14-8-11/h9-11H,2-8H2,1H3
InChIKeyBAEBUZLIWOAION-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.55
Rot. Bonds1

About 8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane

8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 90440080) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID90440080
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESCN1C2CCC1CN(C1CCOC1)C2
InChIInChI=1S/C11H20N2O/c1-12-9-2-3-10(12)7-13(6-9)11-4-5-14-8-11/h9-11H,2-8H2,1H3
InChIKeyBAEBUZLIWOAION-UHFFFAOYSA-N
XLogP0.55
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane (CID 90440080) is 8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane is CN1C2CCC1CN(C1CCOC1)C2.
What is the InChIKey of 8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is BAEBUZLIWOAION-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-9-2-3-10(12)7-13(6-9)11-4-5-14-8-11/h9-11H,2-8H2,1H3.
What are the key properties of 8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane?
8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 196.29 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(oxolan-3-yl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 90440080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).