2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate

C12H21NO2 — CID 20795167

IUPAC2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate
SMILESCC(=O)OCCN1C2CCC1CC(C)C2
InChIInChI=1S/C12H21NO2/c1-9-7-11-3-4-12(8-9)13(11)5-6-15-10(2)14/h9,11-12H,3-8H2,1-2H3
InChIKeyHCGQUMXRBUUIJP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.81
Rot. Bonds3

About 2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate

2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate (PubChem CID 20795167) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate.

Molecular Properties

Compound Name2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate
PubChem CID20795167
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate
SMILESCC(=O)OCCN1C2CCC1CC(C)C2
InChIInChI=1S/C12H21NO2/c1-9-7-11-3-4-12(8-9)13(11)5-6-15-10(2)14/h9,11-12H,3-8H2,1-2H3
InChIKeyHCGQUMXRBUUIJP-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate?
The IUPAC name of 2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate (CID 20795167) is 2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate.
What is the SMILES notation for 2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate?
The canonical SMILES for 2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate is CC(=O)OCCN1C2CCC1CC(C)C2.
What is the InChIKey of 2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate?
The InChIKey is HCGQUMXRBUUIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-7-11-3-4-12(8-9)13(11)5-6-15-10(2)14/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate?
2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate has a molecular weight of 211.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)ethyl acetate is sourced from PubChem (CID 20795167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).