trimethyl(pentanoyl)azanium

C8H18NO+ — CID 21116715

IUPACtrimethyl(pentanoyl)azanium
SMILESCCCCC(=O)[N+](C)(C)C
InChIInChI=1S/C8H18NO/c1-5-6-7-8(10)9(2,3)4/h5-7H2,1-4H3/q+1
InChIKeyJNBGCGYDVVLPTJ-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.41
Rot. Bonds3

About trimethyl(pentanoyl)azanium

trimethyl(pentanoyl)azanium (PubChem CID 21116715) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is trimethyl(pentanoyl)azanium.

Molecular Properties

Compound Nametrimethyl(pentanoyl)azanium
PubChem CID21116715
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Nametrimethyl(pentanoyl)azanium
SMILESCCCCC(=O)[N+](C)(C)C
InChIInChI=1S/C8H18NO/c1-5-6-7-8(10)9(2,3)4/h5-7H2,1-4H3/q+1
InChIKeyJNBGCGYDVVLPTJ-UHFFFAOYSA-N
XLogP1.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.41
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

trimethyl(octadec-9-enoyl)azanium hydroxide
CID 173182408
di(dodecanoyl)-dimethylazanium
CID 46207720
tris(trimethyl-[(Z)-octadec-9-enoyl]azanium);phosphate
CID 174779295
ethyl-dimethyl-tetradecanoylazanium chloride
CID 142704587
12,12-dimethyltridecan-1-amine;trimethyl(octadecanoyl)azanium;chloride;hydrochloride
CID 174430832
ethyl-tri(octanoyl)azanium
CID 88828447
trimethyl(pentanoyloxy)azanium
CID 101455348
2-hydroxyethyl-dimethyl-octadecanoylazanium
CID 21145645
azane;hexadecanoyl(tripropyl)azanium;chloride;dihydrochloride
CID 175548166
tributyl(tetradecanoyl)azanium
CID 14993044
2-(hydroxymethylidene)hexanoic acid
CID 87593168
pentanoic acid;silver
CID 87285302

Frequently Asked Questions

What is the IUPAC name of trimethyl(pentanoyl)azanium?
The IUPAC name of trimethyl(pentanoyl)azanium (CID 21116715) is trimethyl(pentanoyl)azanium.
What is the SMILES notation for trimethyl(pentanoyl)azanium?
The canonical SMILES for trimethyl(pentanoyl)azanium is CCCCC(=O)[N+](C)(C)C.
What is the InChIKey of trimethyl(pentanoyl)azanium?
The InChIKey is JNBGCGYDVVLPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO/c1-5-6-7-8(10)9(2,3)4/h5-7H2,1-4H3/q+1.
What are the key properties of trimethyl(pentanoyl)azanium?
trimethyl(pentanoyl)azanium has a molecular weight of 144.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(pentanoyl)azanium is sourced from PubChem (CID 21116715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).