ethyl-dimethyl-(4-oxopentyl)azanium

C9H20NO+ — CID 88869769

IUPACethyl-dimethyl-(4-oxopentyl)azanium
SMILESCC[N+](C)(C)CCCC(C)=O
InChIInChI=1S/C9H20NO/c1-5-10(3,4)8-6-7-9(2)11/h5-8H2,1-4H3/q+1
InChIKeyFGJFDMVAVJTLSF-UHFFFAOYSA-N
MW158.26 g/mol
LogP1.45
Rot. Bonds5

About ethyl-dimethyl-(4-oxopentyl)azanium

ethyl-dimethyl-(4-oxopentyl)azanium (PubChem CID 88869769) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is ethyl-dimethyl-(4-oxopentyl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(4-oxopentyl)azanium
PubChem CID88869769
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Nameethyl-dimethyl-(4-oxopentyl)azanium
SMILESCC[N+](C)(C)CCCC(C)=O
InChIInChI=1S/C9H20NO/c1-5-10(3,4)8-6-7-9(2)11/h5-8H2,1-4H3/q+1
InChIKeyFGJFDMVAVJTLSF-UHFFFAOYSA-N
XLogP1.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

butanedioic acid;3-carboxypropyl-ethyl-dimethylazanium
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(4-ethoxy-4-oxobutyl)-ethyl-dimethylazanium bromide
CID 86670060
ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 25995
methanamine;naphthalene;triethyl(4-oxopentyl)azanium
CID 157435491
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
ethyl-[6-[2-[6-[2-[6-[2-[6-[2-[6-[ethyl(dimethyl)azaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium
CID 101017980
sodium;ethane;heptadecan-2-one
CID 167668217
ethyl-dimethyl-(3-propanoyloxypropyl)azanium iodide
CID 158853950
ethyl-dimethyl-(3-tetradecanoyloxypropyl)azanium
CID 87632631
ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide
CID 22486480
ethyl-dimethyl-octadecylazanium;sulfuric acid
CID 90169369

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(4-oxopentyl)azanium?
The IUPAC name of ethyl-dimethyl-(4-oxopentyl)azanium (CID 88869769) is ethyl-dimethyl-(4-oxopentyl)azanium.
What is the SMILES notation for ethyl-dimethyl-(4-oxopentyl)azanium?
The canonical SMILES for ethyl-dimethyl-(4-oxopentyl)azanium is CC[N+](C)(C)CCCC(C)=O.
What is the InChIKey of ethyl-dimethyl-(4-oxopentyl)azanium?
The InChIKey is FGJFDMVAVJTLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO/c1-5-10(3,4)8-6-7-9(2)11/h5-8H2,1-4H3/q+1.
What are the key properties of ethyl-dimethyl-(4-oxopentyl)azanium?
ethyl-dimethyl-(4-oxopentyl)azanium has a molecular weight of 158.26 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(4-oxopentyl)azanium is sourced from PubChem (CID 88869769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).