2-ethyl-2,6-diazabicyclo[3.2.2]nonane

C9H18N2 — CID 146602390

IUPAC2-ethyl-2,6-diazabicyclo[3.2.2]nonane
SMILESCCN1CCC2CCC1CN2
InChIInChI=1S/C9H18N2/c1-2-11-6-5-8-3-4-9(11)7-10-8/h8-10H,2-7H2,1H3
InChIKeyBWYNUUOQXVSJOC-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.83
Rot. Bonds1

About 2-ethyl-2,6-diazabicyclo[3.2.2]nonane

2-ethyl-2,6-diazabicyclo[3.2.2]nonane (PubChem CID 146602390) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-ethyl-2,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name2-ethyl-2,6-diazabicyclo[3.2.2]nonane
PubChem CID146602390
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-ethyl-2,6-diazabicyclo[3.2.2]nonane
SMILESCCN1CCC2CCC1CN2
InChIInChI=1S/C9H18N2/c1-2-11-6-5-8-3-4-9(11)7-10-8/h8-10H,2-7H2,1H3
InChIKeyBWYNUUOQXVSJOC-UHFFFAOYSA-N
XLogP0.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-diazabicyclo[3.2.2]nonan-2-ylmethyl)-1,3-thiazole
CID 69378769
1-(2,5-diazabicyclo[2.2.2]octan-2-yl)-3-methylbutan-2-one
CID 134237193
2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride
CID 131676431
(2R,3S)-1-ethyl-2,3-dimethylpyrrolidine
CID 146922886
2-(cyclopent-3-en-1-ylmethyl)-2,5-diazabicyclo[2.2.2]octane
CID 164660543
2-(2,5-diazabicyclo[2.2.2]octan-2-yl)acetic acid;dihydrochloride
CID 155970873
4-ethyl-1,4-diazabicyclo[3.3.1]nonane
CID 131052863
2,3-dibromo-1-ethylpyrrolidine
CID 70422899
2-(1-methoxypropan-2-yl)-2,5-diazabicyclo[2.2.2]octane
CID 127000094
(1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.2]octane;dihydrochloride
CID 155921130
2-hydroxy-2,5-diazabicyclo[2.2.2]octane
CID 170269413
1,3-diethyl-2-methylpyrrolidine;hydrofluoride
CID 175583829

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of 2-ethyl-2,6-diazabicyclo[3.2.2]nonane (CID 146602390) is 2-ethyl-2,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 2-ethyl-2,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 2-ethyl-2,6-diazabicyclo[3.2.2]nonane is CCN1CCC2CCC1CN2.
What is the InChIKey of 2-ethyl-2,6-diazabicyclo[3.2.2]nonane?
The InChIKey is BWYNUUOQXVSJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-11-6-5-8-3-4-9(11)7-10-8/h8-10H,2-7H2,1H3.
What are the key properties of 2-ethyl-2,6-diazabicyclo[3.2.2]nonane?
2-ethyl-2,6-diazabicyclo[3.2.2]nonane has a molecular weight of 154.26 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 146602390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).