ethyl 2-(methylamino)-2-propylpentanoate

C11H23NO2 — CID 581828

IUPACethyl 2-(methylamino)-2-propylpentanoate
SMILESCCCC(CCC)(NC)C(=O)OCC
InChIInChI=1S/C11H23NO2/c1-5-8-11(12-4,9-6-2)10(13)14-7-3/h12H,5-9H2,1-4H3
InChIKeyAHZVFRZFRHDTIA-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds7

About ethyl 2-(methylamino)-2-propylpentanoate

ethyl 2-(methylamino)-2-propylpentanoate (PubChem CID 581828) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl 2-(methylamino)-2-propylpentanoate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-2-propylpentanoate
PubChem CID581828
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl 2-(methylamino)-2-propylpentanoate
SMILESCCCC(CCC)(NC)C(=O)OCC
InChIInChI=1S/C11H23NO2/c1-5-8-11(12-4,9-6-2)10(13)14-7-3/h12H,5-9H2,1-4H3
InChIKeyAHZVFRZFRHDTIA-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-2-propylpentanoate?
The IUPAC name of ethyl 2-(methylamino)-2-propylpentanoate (CID 581828) is ethyl 2-(methylamino)-2-propylpentanoate.
What is the SMILES notation for ethyl 2-(methylamino)-2-propylpentanoate?
The canonical SMILES for ethyl 2-(methylamino)-2-propylpentanoate is CCCC(CCC)(NC)C(=O)OCC.
What is the InChIKey of ethyl 2-(methylamino)-2-propylpentanoate?
The InChIKey is AHZVFRZFRHDTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-8-11(12-4,9-6-2)10(13)14-7-3/h12H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(methylamino)-2-propylpentanoate?
ethyl 2-(methylamino)-2-propylpentanoate has a molecular weight of 201.31 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-2-propylpentanoate is sourced from PubChem (CID 581828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).