dimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium

C13H24NO+ — CID 6581901

IUPACdimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium
SMILESC[C@H]1[C@H]2C[C@H]([C@H](C[NH+](C)C)C2=O)C1(C)C
InChIInChI=1S/C13H23NO/c1-8-9-6-11(13(8,2)3)10(12(9)15)7-14(4)5/h8-11H,6-7H2,1-5H3/p+1/t8-,9+,10-,11+/m0/s1
InChIKeyIORDCIHONMRMKU-ZRUFSTJUSA-O
MW210.34 g/mol
LogP0.63
Rot. Bonds2

About dimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium

dimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium (PubChem CID 6581901) has the molecular formula C13H24NO+ and a molecular weight of 210.34 g/mol. Its IUPAC name is dimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium.

Molecular Properties

Compound Namedimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium
PubChem CID6581901
Molecular FormulaC13H24NO+
Molecular Weight210.34 g/mol
Exact Mass210.19
IUPAC Namedimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium
SMILESC[C@H]1[C@H]2C[C@H]([C@H](C[NH+](C)C)C2=O)C1(C)C
InChIInChI=1S/C13H23NO/c1-8-9-6-11(13(8,2)3)10(12(9)15)7-14(4)5/h8-11H,6-7H2,1-5H3/p+1/t8-,9+,10-,11+/m0/s1
InChIKeyIORDCIHONMRMKU-ZRUFSTJUSA-O
XLogP0.63
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze dimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium?
The IUPAC name of dimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium (CID 6581901) is dimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium.
What is the SMILES notation for dimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium?
The canonical SMILES for dimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium is C[C@H]1[C@H]2C[C@H]([C@H](C[NH+](C)C)C2=O)C1(C)C.
What is the InChIKey of dimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium?
The InChIKey is IORDCIHONMRMKU-ZRUFSTJUSA-O. The full InChI is InChI=1S/C13H23NO/c1-8-9-6-11(13(8,2)3)10(12(9)15)7-14(4)5/h8-11H,6-7H2,1-5H3/p+1/t8-,9+,10-,11+/m0/s1.
What are the key properties of dimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium?
dimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium has a molecular weight of 210.34 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[(1R,2R,4R,5S)-5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]methyl]azanium is sourced from PubChem (CID 6581901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).