ethyl 2-(dimethylamino)pentanoate

C9H19NO2 — CID 83042109

IUPACethyl 2-(dimethylamino)pentanoate
SMILESCCCC(C(=O)OCC)N(C)C
InChIInChI=1S/C9H19NO2/c1-5-7-8(10(3)4)9(11)12-6-2/h8H,5-7H2,1-4H3
InChIKeyRTWJXKZBBWAJIF-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds5

About ethyl 2-(dimethylamino)pentanoate

ethyl 2-(dimethylamino)pentanoate (PubChem CID 83042109) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)pentanoate
PubChem CID83042109
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethyl 2-(dimethylamino)pentanoate
SMILESCCCC(C(=O)OCC)N(C)C
InChIInChI=1S/C9H19NO2/c1-5-7-8(10(3)4)9(11)12-6-2/h8H,5-7H2,1-4H3
InChIKeyRTWJXKZBBWAJIF-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)pentanoate?
The IUPAC name of ethyl 2-(dimethylamino)pentanoate (CID 83042109) is ethyl 2-(dimethylamino)pentanoate.
What is the SMILES notation for ethyl 2-(dimethylamino)pentanoate?
The canonical SMILES for ethyl 2-(dimethylamino)pentanoate is CCCC(C(=O)OCC)N(C)C.
What is the InChIKey of ethyl 2-(dimethylamino)pentanoate?
The InChIKey is RTWJXKZBBWAJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-7-8(10(3)4)9(11)12-6-2/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(dimethylamino)pentanoate?
ethyl 2-(dimethylamino)pentanoate has a molecular weight of 173.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)pentanoate is sourced from PubChem (CID 83042109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).