2-(butanoylamino)ethyl-trimethylazanium iodide

C9H21IN2O — CID 71365310

IUPAC2-(butanoylamino)ethyl-trimethylazanium iodide
SMILESCCCC(=O)NCC[N+](C)(C)C.[I-]
InChIInChI=1S/C9H20N2O.HI/c1-5-6-9(12)10-7-8-11(2,3)4;/h5-8H2,1-4H3;1H
InChIKeyRGAJGFAGNUBBMY-UHFFFAOYSA-N
MW300.18 g/mol
LogP-2.39
Rot. Bonds5

About 2-(butanoylamino)ethyl-trimethylazanium iodide

2-(butanoylamino)ethyl-trimethylazanium iodide (PubChem CID 71365310) has the molecular formula C9H21IN2O and a molecular weight of 300.18 g/mol. Its IUPAC name is 2-(butanoylamino)ethyl-trimethylazanium iodide.

Molecular Properties

Compound Name2-(butanoylamino)ethyl-trimethylazanium iodide
PubChem CID71365310
Molecular FormulaC9H21IN2O
Molecular Weight300.18 g/mol
Exact Mass300.07
IUPAC Name2-(butanoylamino)ethyl-trimethylazanium iodide
SMILESCCCC(=O)NCC[N+](C)(C)C.[I-]
InChIInChI=1S/C9H20N2O.HI/c1-5-6-9(12)10-7-8-11(2,3)4;/h5-8H2,1-4H3;1H
InChIKeyRGAJGFAGNUBBMY-UHFFFAOYSA-N
XLogP-2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 5-2.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(butanoylamino)ethyl-trimethylazanium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(heptanoylamino)ethyl-trimethylazanium
CID 101274918
2-(deca-4,6-diynoylamino)ethyl-trimethylazanium
CID 118885282
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
dimethyl-octadecyl-[2-oxo-2-[2-(trimethylazaniumyl)ethylamino]ethyl]azanium
CID 139878266
3-(butanoylamino)propyl-methyl-dioctylazanium
CID 88655988
trimethyl-[3-(octadecanoylamino)propyl]azanium chloride
CID 3015139
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium
CID 166487544
trimethyl-[2-[[(E)-4-oxo-4-[2-(trimethylazaniumyl)ethylamino]but-2-enoyl]amino]ethyl]azanium diiodide
CID 6434678
N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 56621011
N-(2-aminoethyl)butanamide;ethane
CID 143117924
bis[2-(dodecanoylamino)ethyl]-dimethylazanium chloride
CID 87131100

Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)ethyl-trimethylazanium iodide?
The IUPAC name of 2-(butanoylamino)ethyl-trimethylazanium iodide (CID 71365310) is 2-(butanoylamino)ethyl-trimethylazanium iodide.
What is the SMILES notation for 2-(butanoylamino)ethyl-trimethylazanium iodide?
The canonical SMILES for 2-(butanoylamino)ethyl-trimethylazanium iodide is CCCC(=O)NCC[N+](C)(C)C.[I-].
What is the InChIKey of 2-(butanoylamino)ethyl-trimethylazanium iodide?
The InChIKey is RGAJGFAGNUBBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.HI/c1-5-6-9(12)10-7-8-11(2,3)4;/h5-8H2,1-4H3;1H.
What are the key properties of 2-(butanoylamino)ethyl-trimethylazanium iodide?
2-(butanoylamino)ethyl-trimethylazanium iodide has a molecular weight of 300.18 g/mol, XLogP of -2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)ethyl-trimethylazanium iodide is sourced from PubChem (CID 71365310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).