3-ethoxy-8-azabicyclo[3.2.1]octane

C9H17NO — CID 112756675

IUPAC3-ethoxy-8-azabicyclo[3.2.1]octane
SMILESCCOC1CC2CCC(C1)N2
InChIInChI=1S/C9H17NO/c1-2-11-9-5-7-3-4-8(6-9)10-7/h7-10H,2-6H2,1H3
InChIKeyNTPOQVVCLCXFAR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds2

About 3-ethoxy-8-azabicyclo[3.2.1]octane

3-ethoxy-8-azabicyclo[3.2.1]octane (PubChem CID 112756675) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-ethoxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-ethoxy-8-azabicyclo[3.2.1]octane
PubChem CID112756675
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-ethoxy-8-azabicyclo[3.2.1]octane
SMILESCCOC1CC2CCC(C1)N2
InChIInChI=1S/C9H17NO/c1-2-11-9-5-7-3-4-8(6-9)10-7/h7-10H,2-6H2,1H3
InChIKeyNTPOQVVCLCXFAR-UHFFFAOYSA-N
XLogP1.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Npc136192
CID 11859618
2-[2-(Tert-butoxy)ethyl]piperidine
CID 10797616
rac-(1R,3R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane hydrochloride
CID 75530875
Nortropine acetate
CID 70197099
rac-(1R,3S,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane
CID 129320555
1-Methyl-N-(2-(tetrahydrofuran-2-yl)ethyl)piperidin-4-amine
CID 61038851
N-[2-[(2R)-oxolan-2-yl]ethyl]heptan-4-amine
CID 93468164
3-Methoxy-8-methyl-8-azabicyclo[3.2.1]octane
CID 140091
(3-Endo)-3-Methoxy-8-azabicyclo[3.2.1]octane
CID 51072183
(4R)-4-cycloheptyloxy-3-fluoropiperidine
CID 129294530
3-fluoro-1-(8-oxabicyclo[3.2.1]octan-3-yl)-N-propan-2-ylpiperidin-4-amine
CID 169632602
(3S,4R)-3-fluoro-1-(8-oxabicyclo[3.2.1]octan-3-yl)-N-propan-2-ylpiperidin-4-amine
CID 169632608

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-ethoxy-8-azabicyclo[3.2.1]octane (CID 112756675) is 3-ethoxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-ethoxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-ethoxy-8-azabicyclo[3.2.1]octane is CCOC1CC2CCC(C1)N2.
What is the InChIKey of 3-ethoxy-8-azabicyclo[3.2.1]octane?
The InChIKey is NTPOQVVCLCXFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-11-9-5-7-3-4-8(6-9)10-7/h7-10H,2-6H2,1H3.
What are the key properties of 3-ethoxy-8-azabicyclo[3.2.1]octane?
3-ethoxy-8-azabicyclo[3.2.1]octane has a molecular weight of 155.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112756675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).