2-[butyl(ethyl)amino]acetyl chloride

C8H16ClNO — CID 39254442

IUPAC2-[butyl(ethyl)amino]acetyl chloride
SMILESCCCCN(CC)CC(=O)Cl
InChIInChI=1S/C8H16ClNO/c1-3-5-6-10(4-2)7-8(9)11/h3-7H2,1-2H3
InChIKeyLVLCZYFLMDMNHN-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.87
Rot. Bonds6

About 2-[butyl(ethyl)amino]acetyl chloride

2-[butyl(ethyl)amino]acetyl chloride (PubChem CID 39254442) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]acetyl chloride.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]acetyl chloride
PubChem CID39254442
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-[butyl(ethyl)amino]acetyl chloride
SMILESCCCCN(CC)CC(=O)Cl
InChIInChI=1S/C8H16ClNO/c1-3-5-6-10(4-2)7-8(9)11/h3-7H2,1-2H3
InChIKeyLVLCZYFLMDMNHN-UHFFFAOYSA-N
XLogP1.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl(methyl)amino]acetyl chloride
CID 39248237
3-(dibutylamino)propanoyl chloride
CID 39258356
4-[ethyl(propyl)amino]butanoyl chloride
CID 143367030
1-[ethyl(nonyl)amino]propan-2-one
CID 156818313
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
7-(diethylamino)heptanoyl chloride
CID 58258251
4-[butyl(ethyl)amino]butanoic acid
CID 20991778
2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43219892
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
2-[butyl(ethyl)amino]-N-(2-methylpropyl)acetamide
CID 86910806
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]acetyl chloride?
The IUPAC name of 2-[butyl(ethyl)amino]acetyl chloride (CID 39254442) is 2-[butyl(ethyl)amino]acetyl chloride.
What is the SMILES notation for 2-[butyl(ethyl)amino]acetyl chloride?
The canonical SMILES for 2-[butyl(ethyl)amino]acetyl chloride is CCCCN(CC)CC(=O)Cl.
What is the InChIKey of 2-[butyl(ethyl)amino]acetyl chloride?
The InChIKey is LVLCZYFLMDMNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-3-5-6-10(4-2)7-8(9)11/h3-7H2,1-2H3.
What are the key properties of 2-[butyl(ethyl)amino]acetyl chloride?
2-[butyl(ethyl)amino]acetyl chloride has a molecular weight of 177.67 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]acetyl chloride is sourced from PubChem (CID 39254442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).