trimethyl(6-oxohexyl)azanium

C9H20NO+ — CID 57072310

IUPACtrimethyl(6-oxohexyl)azanium
SMILESC[N+](C)(C)CCCCCC=O
InChIInChI=1S/C9H20NO/c1-10(2,3)8-6-4-5-7-9-11/h9H,4-8H2,1-3H3/q+1
InChIKeyOWIMHDYMTKXZJL-UHFFFAOYSA-N
MW158.26 g/mol
LogP1.45
Rot. Bonds6

About trimethyl(6-oxohexyl)azanium

trimethyl(6-oxohexyl)azanium (PubChem CID 57072310) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is trimethyl(6-oxohexyl)azanium.

Molecular Properties

Compound Nametrimethyl(6-oxohexyl)azanium
PubChem CID57072310
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Nametrimethyl(6-oxohexyl)azanium
SMILESC[N+](C)(C)CCCCCC=O
InChIInChI=1S/C9H20NO/c1-10(2,3)8-6-4-5-7-9-11/h9H,4-8H2,1-3H3/q+1
InChIKeyOWIMHDYMTKXZJL-UHFFFAOYSA-N
XLogP1.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(16-oxohexadecyl)azanium
CID 177225514
trimethyl(5-oxopentyl)azanium chloride
CID 87319360
diethyl-methyl-(10-oxodecyl)azanium iodide
CID 71393760
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
pentadecanedial
CID 22887412
dimethyl-(6-oxohexyl)-prop-2-enylazanium
CID 169160145
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
CID 10921
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
trimethyl-[(E)-oct-6-enyl]azanium
CID 102116303
trimethyl(nonyl)azanium formate
CID 87856984

Frequently Asked Questions

What is the IUPAC name of trimethyl(6-oxohexyl)azanium?
The IUPAC name of trimethyl(6-oxohexyl)azanium (CID 57072310) is trimethyl(6-oxohexyl)azanium.
What is the SMILES notation for trimethyl(6-oxohexyl)azanium?
The canonical SMILES for trimethyl(6-oxohexyl)azanium is C[N+](C)(C)CCCCCC=O.
What is the InChIKey of trimethyl(6-oxohexyl)azanium?
The InChIKey is OWIMHDYMTKXZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO/c1-10(2,3)8-6-4-5-7-9-11/h9H,4-8H2,1-3H3/q+1.
What are the key properties of trimethyl(6-oxohexyl)azanium?
trimethyl(6-oxohexyl)azanium has a molecular weight of 158.26 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(6-oxohexyl)azanium is sourced from PubChem (CID 57072310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).