2-(diethylamino)ethyl 2-iodo-2-methylpropanoate

C10H20INO2 — CID 162508851

IUPAC2-(diethylamino)ethyl 2-iodo-2-methylpropanoate
SMILESCCN(CC)CCOC(=O)C(C)(C)I
InChIInChI=1S/C10H20INO2/c1-5-12(6-2)7-8-14-9(13)10(3,4)11/h5-8H2,1-4H3
InChIKeyOKIAZEVPMLIXGO-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.09
Rot. Bonds6

About 2-(diethylamino)ethyl 2-iodo-2-methylpropanoate

2-(diethylamino)ethyl 2-iodo-2-methylpropanoate (PubChem CID 162508851) has the molecular formula C10H20INO2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-iodo-2-methylpropanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-iodo-2-methylpropanoate
PubChem CID162508851
Molecular FormulaC10H20INO2
Molecular Weight313.18 g/mol
Exact Mass313.05
IUPAC Name2-(diethylamino)ethyl 2-iodo-2-methylpropanoate
SMILESCCN(CC)CCOC(=O)C(C)(C)I
InChIInChI=1S/C10H20INO2/c1-5-12(6-2)7-8-14-9(13)10(3,4)11/h5-8H2,1-4H3
InChIKeyOKIAZEVPMLIXGO-UHFFFAOYSA-N
XLogP2.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-iodo-2-methylpropanoate?
The IUPAC name of 2-(diethylamino)ethyl 2-iodo-2-methylpropanoate (CID 162508851) is 2-(diethylamino)ethyl 2-iodo-2-methylpropanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-iodo-2-methylpropanoate?
The canonical SMILES for 2-(diethylamino)ethyl 2-iodo-2-methylpropanoate is CCN(CC)CCOC(=O)C(C)(C)I.
What is the InChIKey of 2-(diethylamino)ethyl 2-iodo-2-methylpropanoate?
The InChIKey is OKIAZEVPMLIXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20INO2/c1-5-12(6-2)7-8-14-9(13)10(3,4)11/h5-8H2,1-4H3.
What are the key properties of 2-(diethylamino)ethyl 2-iodo-2-methylpropanoate?
2-(diethylamino)ethyl 2-iodo-2-methylpropanoate has a molecular weight of 313.18 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-iodo-2-methylpropanoate is sourced from PubChem (CID 162508851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).