methyl 4-(diethylamino)-4-methylpentanoate

C11H23NO2 — CID 166717151

IUPACmethyl 4-(diethylamino)-4-methylpentanoate
SMILESCCN(CC)C(C)(C)CCC(=O)OC
InChIInChI=1S/C11H23NO2/c1-6-12(7-2)11(3,4)9-8-10(13)14-5/h6-9H2,1-5H3
InChIKeyGWHNHBAZEZDGIO-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.06
Rot. Bonds6

About methyl 4-(diethylamino)-4-methylpentanoate

methyl 4-(diethylamino)-4-methylpentanoate (PubChem CID 166717151) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 4-(diethylamino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 4-(diethylamino)-4-methylpentanoate
PubChem CID166717151
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 4-(diethylamino)-4-methylpentanoate
SMILESCCN(CC)C(C)(C)CCC(=O)OC
InChIInChI=1S/C11H23NO2/c1-6-12(7-2)11(3,4)9-8-10(13)14-5/h6-9H2,1-5H3
InChIKeyGWHNHBAZEZDGIO-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(diethylamino)-4-methylpentanoate?
The IUPAC name of methyl 4-(diethylamino)-4-methylpentanoate (CID 166717151) is methyl 4-(diethylamino)-4-methylpentanoate.
What is the SMILES notation for methyl 4-(diethylamino)-4-methylpentanoate?
The canonical SMILES for methyl 4-(diethylamino)-4-methylpentanoate is CCN(CC)C(C)(C)CCC(=O)OC.
What is the InChIKey of methyl 4-(diethylamino)-4-methylpentanoate?
The InChIKey is GWHNHBAZEZDGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-12(7-2)11(3,4)9-8-10(13)14-5/h6-9H2,1-5H3.
What are the key properties of methyl 4-(diethylamino)-4-methylpentanoate?
methyl 4-(diethylamino)-4-methylpentanoate has a molecular weight of 201.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(diethylamino)-4-methylpentanoate is sourced from PubChem (CID 166717151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).