2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride

C7H15ClN2 — CID 131676431

IUPAC2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride
SMILESCN1CC2CCC1CN2.Cl
InChIInChI=1S/C7H14N2.ClH/c1-9-5-6-2-3-7(9)4-8-6;/h6-8H,2-5H2,1H3;1H
InChIKeyWJWFYTBIUAZBGU-UHFFFAOYSA-N
MW162.66 g/mol
LogP0.47
Rot. Bonds

About 2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride

2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride (PubChem CID 131676431) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is 2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride.

Molecular Properties

Compound Name2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride
PubChem CID131676431
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride
SMILESCN1CC2CCC1CN2.Cl
InChIInChI=1S/C7H14N2.ClH/c1-9-5-6-2-3-7(9)4-8-6;/h6-8H,2-5H2,1H3;1H
InChIKeyWJWFYTBIUAZBGU-UHFFFAOYSA-N
XLogP0.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide
CID 66776606
2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 144525170
2-hydroxy-2,5-diazabicyclo[2.2.2]octane
CID 170269413
2-methylsulfinyl-2,5-diazabicyclo[2.2.2]octane
CID 130664241
6-methyl-2,6-diazabicyclo[3.2.2]nonan-3-one
CID 142494546
2-(2,5-diazabicyclo[2.2.2]octan-2-yl)acetic acid;dihydrochloride
CID 155970873
cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 175882089
2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane
CID 128870964
3-methyl-3,9-diazabicyclo[3.3.2]decane
CID 84650080
6,8-diazabicyclo[3.2.2]nonan-6-amine
CID 137488680
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride?
The IUPAC name of 2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride (CID 131676431) is 2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride.
What is the SMILES notation for 2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride?
The canonical SMILES for 2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride is CN1CC2CCC1CN2.Cl.
What is the InChIKey of 2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride?
The InChIKey is WJWFYTBIUAZBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.ClH/c1-9-5-6-2-3-7(9)4-8-6;/h6-8H,2-5H2,1H3;1H.
What are the key properties of 2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride?
2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride has a molecular weight of 162.66 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride is sourced from PubChem (CID 131676431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).