[butanoyl(ethyl)amino]-ethyl-pentanoylazanium

C13H27N2O2+ — CID 173363015

IUPAC[butanoyl(ethyl)amino]-ethyl-pentanoylazanium
SMILESCCCCC(=O)[NH+](CC)N(CC)C(=O)CCC
InChIInChI=1S/C13H26N2O2/c1-5-9-11-13(17)15(8-4)14(7-3)12(16)10-6-2/h5-11H2,1-4H3/p+1
InChIKeyIXVGVHGPERJCIZ-UHFFFAOYSA-O
MW243.37 g/mol
LogP1.17
Rot. Bonds7

About [butanoyl(ethyl)amino]-ethyl-pentanoylazanium

[butanoyl(ethyl)amino]-ethyl-pentanoylazanium (PubChem CID 173363015) has the molecular formula C13H27N2O2+ and a molecular weight of 243.37 g/mol. Its IUPAC name is [butanoyl(ethyl)amino]-ethyl-pentanoylazanium.

Molecular Properties

Compound Name[butanoyl(ethyl)amino]-ethyl-pentanoylazanium
PubChem CID173363015
Molecular FormulaC13H27N2O2+
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC Name[butanoyl(ethyl)amino]-ethyl-pentanoylazanium
SMILESCCCCC(=O)[NH+](CC)N(CC)C(=O)CCC
InChIInChI=1S/C13H26N2O2/c1-5-9-11-13(17)15(8-4)14(7-3)12(16)10-6-2/h5-11H2,1-4H3/p+1
InChIKeyIXVGVHGPERJCIZ-UHFFFAOYSA-O
XLogP1.17
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [butanoyl(ethyl)amino]-ethyl-pentanoylazanium 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

N-ethyl-N-octylbutanamide
CID 138793187
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N-butyl-N-ethylpentanamide
CID 4629847
N,N-dibromobutanamide
CID 154147629
methanol;octan-4-one
CID 174820687
tridecane-4,9-dione
CID 166698782
N,N-dimethylbutanamide;hydrochloride
CID 87498306
N,N-bis(hydroxymethyl)pentanamide
CID 88793497
butyl-(diethylcarbamoyl)-[diethylcarbamoyl(ethyl)amino]azanium
CID 173363008
N-butyl-N-[5-(diethylamino)pentyl]butanamide
CID 89364821
N-[2-[butyl(methyl)amino]-2-oxoethyl]-N-ethylbutanamide
CID 142102224

Frequently Asked Questions

What is the IUPAC name of [butanoyl(ethyl)amino]-ethyl-pentanoylazanium?
The IUPAC name of [butanoyl(ethyl)amino]-ethyl-pentanoylazanium (CID 173363015) is [butanoyl(ethyl)amino]-ethyl-pentanoylazanium.
What is the SMILES notation for [butanoyl(ethyl)amino]-ethyl-pentanoylazanium?
The canonical SMILES for [butanoyl(ethyl)amino]-ethyl-pentanoylazanium is CCCCC(=O)[NH+](CC)N(CC)C(=O)CCC.
What is the InChIKey of [butanoyl(ethyl)amino]-ethyl-pentanoylazanium?
The InChIKey is IXVGVHGPERJCIZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H26N2O2/c1-5-9-11-13(17)15(8-4)14(7-3)12(16)10-6-2/h5-11H2,1-4H3/p+1.
What are the key properties of [butanoyl(ethyl)amino]-ethyl-pentanoylazanium?
[butanoyl(ethyl)amino]-ethyl-pentanoylazanium has a molecular weight of 243.37 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butanoyl(ethyl)amino]-ethyl-pentanoylazanium is sourced from PubChem (CID 173363015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).