trimethyl(5-oxopentyl)azanium chloride

C8H18ClNO — CID 87319360

IUPACtrimethyl(5-oxopentyl)azanium chloride
SMILESC[N+](C)(C)CCCCC=O.[Cl-]
InChIInChI=1S/C8H18NO.ClH/c1-9(2,3)7-5-4-6-8-10;/h8H,4-7H2,1-3H3;1H/q+1;/p-1
InChIKeyHDPJNLIWPYDKMG-UHFFFAOYSA-M
MW179.69 g/mol
LogP-1.93
Rot. Bonds5

About trimethyl(5-oxopentyl)azanium chloride

trimethyl(5-oxopentyl)azanium chloride (PubChem CID 87319360) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is trimethyl(5-oxopentyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(5-oxopentyl)azanium chloride
PubChem CID87319360
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Nametrimethyl(5-oxopentyl)azanium chloride
SMILESC[N+](C)(C)CCCCC=O.[Cl-]
InChIInChI=1S/C8H18NO.ClH/c1-9(2,3)7-5-4-6-8-10;/h8H,4-7H2,1-3H3;1H/q+1;/p-1
InChIKeyHDPJNLIWPYDKMG-UHFFFAOYSA-M
XLogP-1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 5-1.93
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(6-oxohexyl)azanium
CID 57072310
trimethyl(16-oxohexadecyl)azanium
CID 177225514
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
diethyl-methyl-(10-oxodecyl)azanium iodide
CID 71393760
pentadecanedial
CID 22887412
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
dimethyl-(6-oxohexyl)-prop-2-enylazanium
CID 169160145
trimethyl-[(E)-oct-6-enyl]azanium
CID 102116303
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

Frequently Asked Questions

What is the IUPAC name of trimethyl(5-oxopentyl)azanium chloride?
The IUPAC name of trimethyl(5-oxopentyl)azanium chloride (CID 87319360) is trimethyl(5-oxopentyl)azanium chloride.
What is the SMILES notation for trimethyl(5-oxopentyl)azanium chloride?
The canonical SMILES for trimethyl(5-oxopentyl)azanium chloride is C[N+](C)(C)CCCCC=O.[Cl-].
What is the InChIKey of trimethyl(5-oxopentyl)azanium chloride?
The InChIKey is HDPJNLIWPYDKMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18NO.ClH/c1-9(2,3)7-5-4-6-8-10;/h8H,4-7H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl(5-oxopentyl)azanium chloride?
trimethyl(5-oxopentyl)azanium chloride has a molecular weight of 179.69 g/mol, XLogP of -1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(5-oxopentyl)azanium chloride is sourced from PubChem (CID 87319360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).