trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium

C13H29N2O+ — CID 20759368

IUPACtrimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium
SMILESCC(C)(C)C(C)(C)C(=O)NCC[N+](C)(C)C
InChIInChI=1S/C13H28N2O/c1-12(2,3)13(4,5)11(16)14-9-10-15(6,7)8/h9-10H2,1-8H3/p+1
InChIKeyMIZXGBKPPBBVII-UHFFFAOYSA-O
MW229.39 g/mol
LogP1.88
Rot. Bonds4

About trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium

trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium (PubChem CID 20759368) has the molecular formula C13H29N2O+ and a molecular weight of 229.39 g/mol. Its IUPAC name is trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium
PubChem CID20759368
Molecular FormulaC13H29N2O+
Molecular Weight229.39 g/mol
Exact Mass229.23
IUPAC Nametrimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium
SMILESCC(C)(C)C(C)(C)C(=O)NCC[N+](C)(C)C
InChIInChI=1S/C13H28N2O/c1-12(2,3)13(4,5)11(16)14-9-10-15(6,7)8/h9-10H2,1-8H3/p+1
InChIKeyMIZXGBKPPBBVII-UHFFFAOYSA-O
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium?
The IUPAC name of trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium (CID 20759368) is trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium.
What is the SMILES notation for trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium?
The canonical SMILES for trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium is CC(C)(C)C(C)(C)C(=O)NCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium?
The InChIKey is MIZXGBKPPBBVII-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H28N2O/c1-12(2,3)13(4,5)11(16)14-9-10-15(6,7)8/h9-10H2,1-8H3/p+1.
What are the key properties of trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium?
trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium has a molecular weight of 229.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2,2,3,3-tetramethylbutanoylamino)ethyl]azanium is sourced from PubChem (CID 20759368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).