3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane

C17H26N2O — CID 91456410

IUPAC3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane
SMILESCCC(C)COc1cncc(N2CC3CCC(C3)C2)c1
InChIInChI=1S/C17H26N2O/c1-3-13(2)12-20-17-7-16(8-18-9-17)19-10-14-4-5-15(6-14)11-19/h7-9,13-15H,3-6,10-12H2,1-2H3
InChIKeyTWLWPGQGMNMUDW-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.74
Rot. Bonds5

About 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane

3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane (PubChem CID 91456410) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane
PubChem CID91456410
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane
SMILESCCC(C)COc1cncc(N2CC3CCC(C3)C2)c1
InChIInChI=1S/C17H26N2O/c1-3-13(2)12-20-17-7-16(8-18-9-17)19-10-14-4-5-15(6-14)11-19/h7-9,13-15H,3-6,10-12H2,1-2H3
InChIKeyTWLWPGQGMNMUDW-UHFFFAOYSA-N
XLogP3.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 91081660
3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane
CID 18432727
3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 90729487
3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 143976869
3-(5-phenoxy-3-pyridinyl)-3,7-diazabicyclo[3.3.1]nonane
CID 22573918
5-(2-methylpentoxy)pyridin-3-amine
CID 103286421
(5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 143976866
4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine
CID 102199068
3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134791445
1-chloro-3-(2-methylbutoxy)benzene
CID 64764370
4-(2-methylbutoxy)-1H-pyridazin-6-one
CID 73013184
(2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane
CID 18461059

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane (CID 91456410) is 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane is CCC(C)COc1cncc(N2CC3CCC(C3)C2)c1.
What is the InChIKey of 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane?
The InChIKey is TWLWPGQGMNMUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-13(2)12-20-17-7-16(8-18-9-17)19-10-14-4-5-15(6-14)11-19/h7-9,13-15H,3-6,10-12H2,1-2H3.
What are the key properties of 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane?
3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane has a molecular weight of 274.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 91456410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).