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

C13H24NO+ — CID 4263674

IUPACdimethyl-[(5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)methyl]azanium
SMILESCC1C2CC(C(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
InChIKeyIORDCIHONMRMKU-UHFFFAOYSA-O
MW210.34 g/mol
LogP0.63
Rot. Bonds2

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

dimethyl-[(5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)methyl]azanium (PubChem CID 4263674) has the molecular formula C13H24NO+ and a molecular weight of 210.34 g/mol. Its IUPAC name is dimethyl-[(5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)methyl]azanium.

Molecular Properties

Compound Namedimethyl-[(5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)methyl]azanium
PubChem CID4263674
Molecular FormulaC13H24NO+
Molecular Weight210.34 g/mol
Exact Mass210.19
IUPAC Namedimethyl-[(5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)methyl]azanium
SMILESCC1C2CC(C(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
InChIKeyIORDCIHONMRMKU-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[(5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)methyl]azanium?
The IUPAC name of dimethyl-[(5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)methyl]azanium (CID 4263674) is dimethyl-[(5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)methyl]azanium.
What is the SMILES notation for dimethyl-[(5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)methyl]azanium?
The canonical SMILES for dimethyl-[(5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)methyl]azanium is CC1C2CC(C(C[NH+](C)C)C2=O)C1(C)C.
What is the InChIKey of dimethyl-[(5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)methyl]azanium?
The InChIKey is IORDCIHONMRMKU-UHFFFAOYSA-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.
What are the key properties of dimethyl-[(5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)methyl]azanium?
dimethyl-[(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-[(5,6,6-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)methyl]azanium is sourced from PubChem (CID 4263674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).