2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium

C12H27N2O2+ — CID 20802421

IUPAC2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium
SMILESCCCC[N+](C)(CCNC(C)=O)CCOC
InChIInChI=1S/C12H26N2O2/c1-5-6-8-14(3,10-11-16-4)9-7-13-12(2)15/h5-11H2,1-4H3/p+1
InChIKeyCGTBWFHUPKJBBD-UHFFFAOYSA-O
MW231.36 g/mol
LogP1.02
Rot. Bonds9

About 2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium

2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium (PubChem CID 20802421) has the molecular formula C12H27N2O2+ and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium.

Molecular Properties

Compound Name2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium
PubChem CID20802421
Molecular FormulaC12H27N2O2+
Molecular Weight231.36 g/mol
Exact Mass231.21
IUPAC Name2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium
SMILESCCCC[N+](C)(CCNC(C)=O)CCOC
InChIInChI=1S/C12H26N2O2/c1-5-6-8-14(3,10-11-16-4)9-7-13-12(2)15/h5-11H2,1-4H3/p+1
InChIKeyCGTBWFHUPKJBBD-UHFFFAOYSA-O
XLogP1.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium 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

bis(2-acetamidoethyl)-butyl-methylazanium
CID 20802446
2-methoxyethyl-methyl-dioctylazanium
CID 19839301
methyl N-methylcarbamate;tributyl(methyl)azanium
CID 137357212
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
2-[(4-methoxybenzoyl)amino]ethyl-methyl-dioctylazanium iodide
CID 71506107
N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide
CID 110415978
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
N-nonadecylacetamide
CID 54574805
N-butylacetamide;molecular hydrogen
CID 142252069
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452
dibutyl-(3-hydroxypropyl)-methylazanium
CID 58053101

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium?
The IUPAC name of 2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium (CID 20802421) is 2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium.
What is the SMILES notation for 2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium?
The canonical SMILES for 2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium is CCCC[N+](C)(CCNC(C)=O)CCOC.
What is the InChIKey of 2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium?
The InChIKey is CGTBWFHUPKJBBD-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H26N2O2/c1-5-6-8-14(3,10-11-16-4)9-7-13-12(2)15/h5-11H2,1-4H3/p+1.
What are the key properties of 2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium?
2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium has a molecular weight of 231.36 g/mol, XLogP of 1.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl-butyl-(2-methoxyethyl)-methylazanium is sourced from PubChem (CID 20802421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).