(1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane

C11H22N+ — CID 101019525

IUPAC(1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane
SMILESCC1(C)C2CCC[N+](C)(C)[C@@H]1C2
InChIInChI=1S/C11H22N/c1-11(2)9-6-5-7-12(3,4)10(11)8-9/h9-10H,5-8H2,1-4H3/q+1/t9?,10-/m1/s1
InChIKeyGJLMOWPMNZHNON-QVDQXJPCSA-N
MW168.30 g/mol
LogP2.27
Rot. Bonds

About (1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane

(1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane (PubChem CID 101019525) has the molecular formula C11H22N+ and a molecular weight of 168.30 g/mol. Its IUPAC name is (1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane.

Molecular Properties

Compound Name(1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane
PubChem CID101019525
Molecular FormulaC11H22N+
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC Name(1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane
SMILESCC1(C)C2CCC[N+](C)(C)[C@@H]1C2
InChIInChI=1S/C11H22N/c1-11(2)9-6-5-7-12(3,4)10(11)8-9/h9-10H,5-8H2,1-4H3/q+1/t9?,10-/m1/s1
InChIKeyGJLMOWPMNZHNON-QVDQXJPCSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278
11,11-dimethylbicyclo[4.4.1]undecane
CID 71443320
1-methyl-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrolidin-1-ium
CID 58252612
(1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol
CID 102586581
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
1,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium
CID 20676418
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
2-ethynyl-1,1-dimethylpyrrolidin-1-ium
CID 162770854
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 11263535
2,2,3,3-tetramethylbicyclo[2.1.1]hexane
CID 123143747

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane?
The IUPAC name of (1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane (CID 101019525) is (1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane.
What is the SMILES notation for (1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane?
The canonical SMILES for (1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane is CC1(C)C2CCC[N+](C)(C)[C@@H]1C2.
What is the InChIKey of (1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane?
The InChIKey is GJLMOWPMNZHNON-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22N/c1-11(2)9-6-5-7-12(3,4)10(11)8-9/h9-10H,5-8H2,1-4H3/q+1/t9?,10-/m1/s1.
What are the key properties of (1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane?
(1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane has a molecular weight of 168.30 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,7,7-tetramethyl-2-azoniabicyclo[4.1.1]octane is sourced from PubChem (CID 101019525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).