2-(diethylamino)ethyl 4,4-dimethylpentanoate

C13H27NO2 — CID 3041814

IUPAC2-(diethylamino)ethyl 4,4-dimethylpentanoate
SMILESCCN(CC)CCOC(=O)CCC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-6-14(7-2)10-11-16-12(15)8-9-13(3,4)5/h6-11H2,1-5H3
InChIKeyOLUYFRLJSVIINC-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.70
Rot. Bonds7

About 2-(diethylamino)ethyl 4,4-dimethylpentanoate

2-(diethylamino)ethyl 4,4-dimethylpentanoate (PubChem CID 3041814) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4,4-dimethylpentanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4,4-dimethylpentanoate
PubChem CID3041814
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-(diethylamino)ethyl 4,4-dimethylpentanoate
SMILESCCN(CC)CCOC(=O)CCC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-6-14(7-2)10-11-16-12(15)8-9-13(3,4)5/h6-11H2,1-5H3
InChIKeyOLUYFRLJSVIINC-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4,4-dimethylpentanoate?
The IUPAC name of 2-(diethylamino)ethyl 4,4-dimethylpentanoate (CID 3041814) is 2-(diethylamino)ethyl 4,4-dimethylpentanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4,4-dimethylpentanoate?
The canonical SMILES for 2-(diethylamino)ethyl 4,4-dimethylpentanoate is CCN(CC)CCOC(=O)CCC(C)(C)C.
What is the InChIKey of 2-(diethylamino)ethyl 4,4-dimethylpentanoate?
The InChIKey is OLUYFRLJSVIINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-14(7-2)10-11-16-12(15)8-9-13(3,4)5/h6-11H2,1-5H3.
What are the key properties of 2-(diethylamino)ethyl 4,4-dimethylpentanoate?
2-(diethylamino)ethyl 4,4-dimethylpentanoate has a molecular weight of 229.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4,4-dimethylpentanoate is sourced from PubChem (CID 3041814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).