3,3-dimethyl-2-azabicyclo[2.2.2]octane

C9H17N — CID 15922264

IUPAC3,3-dimethyl-2-azabicyclo[2.2.2]octane
SMILESCC1(C)NC2CCC1CC2
InChIInChI=1S/C9H17N/c1-9(2)7-3-5-8(10-9)6-4-7/h7-8,10H,3-6H2,1-2H3
InChIKeyLNCINQWFHXRABP-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.93
Rot. Bonds

About 3,3-dimethyl-2-azabicyclo[2.2.2]octane

3,3-dimethyl-2-azabicyclo[2.2.2]octane (PubChem CID 15922264) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3,3-dimethyl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3,3-dimethyl-2-azabicyclo[2.2.2]octane
PubChem CID15922264
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3,3-dimethyl-2-azabicyclo[2.2.2]octane
SMILESCC1(C)NC2CCC1CC2
InChIInChI=1S/C9H17N/c1-9(2)7-3-5-8(10-9)6-4-7/h7-8,10H,3-6H2,1-2H3
InChIKeyLNCINQWFHXRABP-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Azabicyclo(2.2.2)octane
CID 9236
2-Cyclohexylpiperidine
CID 92439
1-Methyl-9-azabicyclo[3.3.1]nonane
CID 10630570
1-Methyl-2-azaadamantane
CID 57485169
2-(4-Methylcyclohexyl)piperidine
CID 3020571
5-Fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane
CID 118643202
(1R,4R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane
CID 170300767
(1S,4S,5R)-4-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane
CID 170300769
(1S,2R)-2-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane
CID 170300772
(1R,2S,5S)-2-fluoro-1,3-dimethyl-9-azabicyclo[3.3.1]nonane
CID 174142499
2,2,4-Trimethyldecahydroquinoline
CID 22628786
(2S)-2-cyclohexylpiperidine
CID 7016471

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-azabicyclo[2.2.2]octane?
The IUPAC name of 3,3-dimethyl-2-azabicyclo[2.2.2]octane (CID 15922264) is 3,3-dimethyl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3,3-dimethyl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 3,3-dimethyl-2-azabicyclo[2.2.2]octane is CC1(C)NC2CCC1CC2.
What is the InChIKey of 3,3-dimethyl-2-azabicyclo[2.2.2]octane?
The InChIKey is LNCINQWFHXRABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-9(2)7-3-5-8(10-9)6-4-7/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-2-azabicyclo[2.2.2]octane?
3,3-dimethyl-2-azabicyclo[2.2.2]octane has a molecular weight of 139.24 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 15922264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).