3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane

C11H20N2 — CID 79677636

IUPAC3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane
SMILESCC1CN(C2CC3CCC(C2)N3)C1
InChIInChI=1S/C11H20N2/c1-8-6-13(7-8)11-4-9-2-3-10(5-11)12-9/h8-12H,2-7H2,1H3
InChIKeyYKLIEGLEXVYMJD-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.22
Rot. Bonds1

About 3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane

3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane (PubChem CID 79677636) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane
PubChem CID79677636
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane
SMILESCC1CN(C2CC3CCC(C2)N3)C1
InChIInChI=1S/C11H20N2/c1-8-6-13(7-8)11-4-9-2-3-10(5-11)12-9/h8-12H,2-7H2,1H3
InChIKeyYKLIEGLEXVYMJD-UHFFFAOYSA-N
XLogP1.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane (CID 79677636) is 3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane is CC1CN(C2CC3CCC(C2)N3)C1.
What is the InChIKey of 3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane?
The InChIKey is YKLIEGLEXVYMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8-6-13(7-8)11-4-9-2-3-10(5-11)12-9/h8-12H,2-7H2,1H3.
What are the key properties of 3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane?
3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane has a molecular weight of 180.29 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylazetidin-1-yl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 79677636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).