2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride

C8H16ClNO2 — CID 39254590

IUPAC2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride
SMILESCCN(CCO)C(C)(C)C(=O)Cl
InChIInChI=1S/C8H16ClNO2/c1-4-10(5-6-11)8(2,3)7(9)12/h11H,4-6H2,1-3H3
InChIKeyBTFGUEFCYPEUGR-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.84
Rot. Bonds5

About 2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride

2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride (PubChem CID 39254590) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride
PubChem CID39254590
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride
SMILESCCN(CCO)C(C)(C)C(=O)Cl
InChIInChI=1S/C8H16ClNO2/c1-4-10(5-6-11)8(2,3)7(9)12/h11H,4-6H2,1-3H3
InChIKeyBTFGUEFCYPEUGR-UHFFFAOYSA-N
XLogP0.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride (CID 39254590) is 2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride is CCN(CCO)C(C)(C)C(=O)Cl.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride?
The InChIKey is BTFGUEFCYPEUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2/c1-4-10(5-6-11)8(2,3)7(9)12/h11H,4-6H2,1-3H3.
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride?
2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride has a molecular weight of 193.67 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride is sourced from PubChem (CID 39254590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).