1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone

C15H25NO2 — CID 112680740

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone
SMILESCN1C2CCC1CC(C(=O)CC1CCOCC1)C2
InChIInChI=1S/C15H25NO2/c1-16-13-2-3-14(16)10-12(9-13)15(17)8-11-4-6-18-7-5-11/h11-14H,2-10H2,1H3
InChIKeyAMDLWHWSQLLDOC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.24
Rot. Bonds3

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone (PubChem CID 112680740) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone
PubChem CID112680740
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone
SMILESCN1C2CCC1CC(C(=O)CC1CCOCC1)C2
InChIInChI=1S/C15H25NO2/c1-16-13-2-3-14(16)10-12(9-13)15(17)8-11-4-6-18-7-5-11/h11-14H,2-10H2,1H3
InChIKeyAMDLWHWSQLLDOC-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone (CID 112680740) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone is CN1C2CCC1CC(C(=O)CC1CCOCC1)C2.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is AMDLWHWSQLLDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-16-13-2-3-14(16)10-12(9-13)15(17)8-11-4-6-18-7-5-11/h11-14H,2-10H2,1H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 251.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 112680740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).