1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane

C10H20N+ — CID 20648043

IUPAC1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane
SMILESC[NH+]1CC2CCC1(C)C2(C)C
InChIInChI=1S/C10H19N/c1-9(2)8-5-6-10(9,3)11(4)7-8/h8H,5-7H2,1-4H3/p+1
InChIKeyWGXJXERMWAJMSC-UHFFFAOYSA-O
MW154.28 g/mol
LogP0.71
Rot. Bonds

About 1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane

1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane (PubChem CID 20648043) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is 1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane
PubChem CID20648043
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Name1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane
SMILESC[NH+]1CC2CCC1(C)C2(C)C
InChIInChI=1S/C10H19N/c1-9(2)8-5-6-10(9,3)11(4)7-8/h8H,5-7H2,1-4H3/p+1
InChIKeyWGXJXERMWAJMSC-UHFFFAOYSA-O
XLogP0.71
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane 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

1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate
CID 141349700
(2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane
CID 148935877
1-tert-butyl-5,5-dimethylbicyclo[2.1.1]hexane
CID 166031080
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride
CID 159301081
phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane
CID 87142437
1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane
CID 54000312
2-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10130254
(1S,2S,4R)-1,7,7-trimethyl-2-pentylbicyclo[2.2.1]heptan-2-ol
CID 174767686
(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889496
(1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol
CID 15484337
1,2-dimethylbicyclo[3.1.0]hexan-2-amine
CID 152586556

Frequently Asked Questions

What is the IUPAC name of 1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane?
The IUPAC name of 1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane (CID 20648043) is 1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane.
What is the SMILES notation for 1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane?
The canonical SMILES for 1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane is C[NH+]1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane?
The InChIKey is WGXJXERMWAJMSC-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19N/c1-9(2)8-5-6-10(9,3)11(4)7-8/h8H,5-7H2,1-4H3/p+1.
What are the key properties of 1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane?
1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane has a molecular weight of 154.28 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane is sourced from PubChem (CID 20648043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).