(2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane

C11H21NO — CID 101047369

IUPAC(2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane
SMILESCC[C@H]1CN2CC[C@H]1CC[C@H]2OC
InChIInChI=1S/C11H21NO/c1-3-9-8-12-7-6-10(9)4-5-11(12)13-2/h9-11H,3-8H2,1-2H3/t9-,10+,11+/m0/s1
InChIKeyYQZQXQMYGHLEOQ-HBNTYKKESA-N
MW183.29 g/mol
LogP2.10
Rot. Bonds2

About (2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane

(2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane (PubChem CID 101047369) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name(2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane
PubChem CID101047369
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane
SMILESCC[C@H]1CN2CC[C@H]1CC[C@H]2OC
InChIInChI=1S/C11H21NO/c1-3-9-8-12-7-6-10(9)4-5-11(12)13-2/h9-11H,3-8H2,1-2H3/t9-,10+,11+/m0/s1
InChIKeyYQZQXQMYGHLEOQ-HBNTYKKESA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate
CID 10846261
(2S,4S,5R)-5-ethyl-2-(iodomethyl)-1-azabicyclo[2.2.2]octane
CID 101047368
5-ethyl-1-azatricyclo[5.2.1.02,6]decane
CID 54182605
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethylpiperidin-4-amine
CID 81458352
1-[(2R,4S,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 162799691
N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]cyclopropanecarboxamide
CID 74736198
N-[[(2R,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]propane-1-sulfonamide
CID 21175363
1-(3,5-dimethoxyphenyl)-3-[[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
CID 11943322
1-[[(2R,4S,5S)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-(4-methoxyphenyl)thiourea
CID 162796244
[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-(3,5-dimethoxyphenyl)carbamate
CID 11943194
(3R,4S)-1-cyclopropyl-4-ethyl-3-methylpiperidine
CID 134195657
N-benzyl-1-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 45360416

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane?
The IUPAC name of (2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane (CID 101047369) is (2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane.
What is the SMILES notation for (2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane?
The canonical SMILES for (2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane is CC[C@H]1CN2CC[C@H]1CC[C@H]2OC.
What is the InChIKey of (2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane?
The InChIKey is YQZQXQMYGHLEOQ-HBNTYKKESA-N. The full InChI is InChI=1S/C11H21NO/c1-3-9-8-12-7-6-10(9)4-5-11(12)13-2/h9-11H,3-8H2,1-2H3/t9-,10+,11+/m0/s1.
What are the key properties of (2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane?
(2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane has a molecular weight of 183.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 101047369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).