3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane

C10H18N2 — CID 138958511

IUPAC3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane
SMILESC1CC2CC1CN(C1CNC1)C2
InChIInChI=1S/C10H18N2/c1-2-9-3-8(1)6-12(7-9)10-4-11-5-10/h8-11H,1-7H2
InChIKeyYYBYQAHOABTUIH-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.69
Rot. Bonds1

About 3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane

3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane (PubChem CID 138958511) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane
PubChem CID138958511
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane
SMILESC1CC2CC1CN(C1CNC1)C2
InChIInChI=1S/C10H18N2/c1-2-9-3-8(1)6-12(7-9)10-4-11-5-10/h8-11H,1-7H2
InChIKeyYYBYQAHOABTUIH-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methylazetidin-3-yl)-3,7-diazabicyclo[3.3.1]nonane
CID 170375113
1-(azetidin-3-yl)pyrrolidine-3,4-diol
CID 106674356
1-(azetidin-3-yl)-3-methoxyazetidine
CID 89434796
(3S,5R)-1-(azetidin-3-yl)-5-methylpiperidin-3-ol
CID 130802727
1-(azetidin-3-yl)pyrrolidin-3-ol
CID 55278856
3-azabicyclo[3.2.2]nonane
CID 9240
4-(azetidin-3-yl)-2,6-dimethyl-1,4-thiazinane 1,1-dioxide
CID 130791969
3-(3,4-dimethylpyrrolidin-1-yl)-5-methylpiperidine
CID 115373534
2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115560129
2-(4-methylpyrrolidin-3-yl)-2-azabicyclo[2.2.1]heptane
CID 81460095
5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213126
1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride
CID 75464903

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane (CID 138958511) is 3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane is C1CC2CC1CN(C1CNC1)C2.
What is the InChIKey of 3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane?
The InChIKey is YYBYQAHOABTUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-9-3-8(1)6-12(7-9)10-4-11-5-10/h8-11H,1-7H2.
What are the key properties of 3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane?
3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane has a molecular weight of 166.27 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 138958511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).