3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane

C11H21N3 — CID 170375113

IUPAC3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane
SMILESCN1CC(N2CC3CNCC(C3)C2)C1
InChIInChI=1S/C11H21N3/c1-13-7-11(8-13)14-5-9-2-10(6-14)4-12-3-9/h9-12H,2-8H2,1H3
InChIKeyJUGNEAZSOUHFBW-UHFFFAOYSA-N
MW195.31 g/mol
LogP-0.16
Rot. Bonds1

About 3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane

3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 170375113) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane
PubChem CID170375113
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane
SMILESCN1CC(N2CC3CNCC(C3)C2)C1
InChIInChI=1S/C11H21N3/c1-13-7-11(8-13)14-5-9-2-10(6-14)4-12-3-9/h9-12H,2-8H2,1H3
InChIKeyJUGNEAZSOUHFBW-UHFFFAOYSA-N
XLogP-0.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane (CID 170375113) is 3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane is CN1CC(N2CC3CNCC(C3)C2)C1.
What is the InChIKey of 3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is JUGNEAZSOUHFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-13-7-11(8-13)14-5-9-2-10(6-14)4-12-3-9/h9-12H,2-8H2,1H3.
What are the key properties of 3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane?
3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 195.31 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 170375113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).