ethyl 2-[2-(diethylamino)ethylamino]pentanoate

C13H28N2O2 — CID 54890434

IUPACethyl 2-[2-(diethylamino)ethylamino]pentanoate
SMILESCCCC(NCCN(CC)CC)C(=O)OCC
InChIInChI=1S/C13H28N2O2/c1-5-9-12(13(16)17-8-4)14-10-11-15(6-2)7-3/h12,14H,5-11H2,1-4H3
InChIKeyGTZPACRUXDYERV-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.65
Rot. Bonds10

About ethyl 2-[2-(diethylamino)ethylamino]pentanoate

ethyl 2-[2-(diethylamino)ethylamino]pentanoate (PubChem CID 54890434) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is ethyl 2-[2-(diethylamino)ethylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(diethylamino)ethylamino]pentanoate
PubChem CID54890434
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nameethyl 2-[2-(diethylamino)ethylamino]pentanoate
SMILESCCCC(NCCN(CC)CC)C(=O)OCC
InChIInChI=1S/C13H28N2O2/c1-5-9-12(13(16)17-8-4)14-10-11-15(6-2)7-3/h12,14H,5-11H2,1-4H3
InChIKeyGTZPACRUXDYERV-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(diethylamino)ethylamino]-4-methylsulfanylbutanoate
CID 54890480
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate
CID 83041631
ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate
CID 61325588
ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate
CID 63028998
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
ethyl 2-(2-cyclopropylethylamino)pentanoate
CID 79040275
ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
4-(diethylamino)-2-(propylamino)butanamide
CID 63028178
methyl (2S)-2-(propylamino)pentanoate
CID 141145827
methyl 2-(propylamino)pentanoate
CID 60795873
ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate
CID 63028830

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(diethylamino)ethylamino]pentanoate?
The IUPAC name of ethyl 2-[2-(diethylamino)ethylamino]pentanoate (CID 54890434) is ethyl 2-[2-(diethylamino)ethylamino]pentanoate.
What is the SMILES notation for ethyl 2-[2-(diethylamino)ethylamino]pentanoate?
The canonical SMILES for ethyl 2-[2-(diethylamino)ethylamino]pentanoate is CCCC(NCCN(CC)CC)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-(diethylamino)ethylamino]pentanoate?
The InChIKey is GTZPACRUXDYERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-9-12(13(16)17-8-4)14-10-11-15(6-2)7-3/h12,14H,5-11H2,1-4H3.
What are the key properties of ethyl 2-[2-(diethylamino)ethylamino]pentanoate?
ethyl 2-[2-(diethylamino)ethylamino]pentanoate has a molecular weight of 244.38 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(diethylamino)ethylamino]pentanoate is sourced from PubChem (CID 54890434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).