8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane

C16H23N3O — CID 134341649

IUPAC8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESCCc1ccc(N2C3CCC2CN(C2COC2)C3)cn1
InChIInChI=1S/C16H23N3O/c1-2-12-3-4-13(7-17-12)19-14-5-6-15(19)9-18(8-14)16-10-20-11-16/h3-4,7,14-16H,2,5-6,8-11H2,1H3
InChIKeyJDOFGWGRVAGLKI-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.70
Rot. Bonds3

About 8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane

8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 134341649) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID134341649
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESCCc1ccc(N2C3CCC2CN(C2COC2)C3)cn1
InChIInChI=1S/C16H23N3O/c1-2-12-3-4-13(7-17-12)19-14-5-6-15(19)9-18(8-14)16-10-20-11-16/h3-4,7,14-16H,2,5-6,8-11H2,1H3
InChIKeyJDOFGWGRVAGLKI-UHFFFAOYSA-N
XLogP1.70
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane (CID 134341649) is 8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane is CCc1ccc(N2C3CCC2CN(C2COC2)C3)cn1.
What is the InChIKey of 8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is JDOFGWGRVAGLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-12-3-4-13(7-17-12)19-14-5-6-15(19)9-18(8-14)16-10-20-11-16/h3-4,7,14-16H,2,5-6,8-11H2,1H3.
What are the key properties of 8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane?
8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 273.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-ethyl-3-pyridinyl)-3-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 134341649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).