trimethyl-(6-methyl-5-oxoheptyl)azanium

C11H24NO+ — CID 58031180

IUPACtrimethyl-(6-methyl-5-oxoheptyl)azanium
SMILESCC(C)C(=O)CCCC[N+](C)(C)C
InChIInChI=1S/C11H24NO/c1-10(2)11(13)8-6-7-9-12(3,4)5/h10H,6-9H2,1-5H3/q+1
InChIKeyGQLCBEVCIGBCGS-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.09
Rot. Bonds6

About trimethyl-(6-methyl-5-oxoheptyl)azanium

trimethyl-(6-methyl-5-oxoheptyl)azanium (PubChem CID 58031180) has the molecular formula C11H24NO+ and a molecular weight of 186.32 g/mol. Its IUPAC name is trimethyl-(6-methyl-5-oxoheptyl)azanium.

Molecular Properties

Compound Nametrimethyl-(6-methyl-5-oxoheptyl)azanium
PubChem CID58031180
Molecular FormulaC11H24NO+
Molecular Weight186.32 g/mol
Exact Mass186.19
IUPAC Nametrimethyl-(6-methyl-5-oxoheptyl)azanium
SMILESCC(C)C(=O)CCCC[N+](C)(C)C
InChIInChI=1S/C11H24NO/c1-10(2)11(13)8-6-7-9-12(3,4)5/h10H,6-9H2,1-5H3/q+1
InChIKeyGQLCBEVCIGBCGS-UHFFFAOYSA-N
XLogP2.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(6-methyl-5-oxoheptyl)azanium?
The IUPAC name of trimethyl-(6-methyl-5-oxoheptyl)azanium (CID 58031180) is trimethyl-(6-methyl-5-oxoheptyl)azanium.
What is the SMILES notation for trimethyl-(6-methyl-5-oxoheptyl)azanium?
The canonical SMILES for trimethyl-(6-methyl-5-oxoheptyl)azanium is CC(C)C(=O)CCCC[N+](C)(C)C.
What is the InChIKey of trimethyl-(6-methyl-5-oxoheptyl)azanium?
The InChIKey is GQLCBEVCIGBCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO/c1-10(2)11(13)8-6-7-9-12(3,4)5/h10H,6-9H2,1-5H3/q+1.
What are the key properties of trimethyl-(6-methyl-5-oxoheptyl)azanium?
trimethyl-(6-methyl-5-oxoheptyl)azanium has a molecular weight of 186.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(6-methyl-5-oxoheptyl)azanium is sourced from PubChem (CID 58031180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).