triethyl(3-oxopentyl)azanium

C11H24NO+ — CID 135052891

IUPACtriethyl(3-oxopentyl)azanium
SMILESCCC(=O)CC[N+](CC)(CC)CC
InChIInChI=1S/C11H24NO/c1-5-11(13)9-10-12(6-2,7-3)8-4/h5-10H2,1-4H3/q+1
InChIKeyODOSBGNKNODNGQ-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.23
Rot. Bonds7

About triethyl(3-oxopentyl)azanium

triethyl(3-oxopentyl)azanium (PubChem CID 135052891) has the molecular formula C11H24NO+ and a molecular weight of 186.32 g/mol. Its IUPAC name is triethyl(3-oxopentyl)azanium.

Molecular Properties

Compound Nametriethyl(3-oxopentyl)azanium
PubChem CID135052891
Molecular FormulaC11H24NO+
Molecular Weight186.32 g/mol
Exact Mass186.19
IUPAC Nametriethyl(3-oxopentyl)azanium
SMILESCCC(=O)CC[N+](CC)(CC)CC
InChIInChI=1S/C11H24NO/c1-5-11(13)9-10-12(6-2,7-3)8-4/h5-10H2,1-4H3/q+1
InChIKeyODOSBGNKNODNGQ-UHFFFAOYSA-N
XLogP2.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.23
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

2-Pentanone, 5-(diethylamino)-
CID 7739
2-Butanone, 4-diethylamino-
CID 18694
N,N,N-Trimethyl-3-oxobutan-1-aminium iodide
CID 35720
1-Methyl-4-piperidone
CID 74049
1-Ethylpiperidin-4-one
CID 77159
1-Butyl-4-piperidone
CID 89995
1-Propyl-4-piperidone
CID 90006
4-(Piperidin-1-yl)butan-2-one
CID 414358
N,N,N-Trimethyl-4-oxo-1-pentanaminium
CID 91420
Trimethyl(4-oxopentyl)ammonium iodide
CID 91419
1-(Dimethylamino)-2-methyl-3-pentanone
CID 3048729
1-Isobutyl-4-piperidone
CID 4202451

Frequently Asked Questions

What is the IUPAC name of triethyl(3-oxopentyl)azanium?
The IUPAC name of triethyl(3-oxopentyl)azanium (CID 135052891) is triethyl(3-oxopentyl)azanium.
What is the SMILES notation for triethyl(3-oxopentyl)azanium?
The canonical SMILES for triethyl(3-oxopentyl)azanium is CCC(=O)CC[N+](CC)(CC)CC.
What is the InChIKey of triethyl(3-oxopentyl)azanium?
The InChIKey is ODOSBGNKNODNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO/c1-5-11(13)9-10-12(6-2,7-3)8-4/h5-10H2,1-4H3/q+1.
What are the key properties of triethyl(3-oxopentyl)azanium?
triethyl(3-oxopentyl)azanium has a molecular weight of 186.32 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(3-oxopentyl)azanium is sourced from PubChem (CID 135052891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).