diethyl 2-propylbutanedioate;N-ethylethanamine

C15H31NO4 — CID 174714247

IUPACdiethyl 2-propylbutanedioate;N-ethylethanamine
SMILESCCCC(CC(=O)OCC)C(=O)OCC.CCNCC
InChIInChI=1S/C11H20O4.C4H11N/c1-4-7-9(11(13)15-6-3)8-10(12)14-5-2;1-3-5-4-2/h9H,4-8H2,1-3H3;5H,3-4H2,1-2H3
InChIKeySWJOGLAFKWZMCH-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.53
Rot. Bonds9

About diethyl 2-propylbutanedioate;N-ethylethanamine

diethyl 2-propylbutanedioate;N-ethylethanamine (PubChem CID 174714247) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is diethyl 2-propylbutanedioate;N-ethylethanamine.

Molecular Properties

Compound Namediethyl 2-propylbutanedioate;N-ethylethanamine
PubChem CID174714247
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Namediethyl 2-propylbutanedioate;N-ethylethanamine
SMILESCCCC(CC(=O)OCC)C(=O)OCC.CCNCC
InChIInChI=1S/C11H20O4.C4H11N/c1-4-7-9(11(13)15-6-3)8-10(12)14-5-2;1-3-5-4-2/h9H,4-8H2,1-3H3;5H,3-4H2,1-2H3
InChIKeySWJOGLAFKWZMCH-UHFFFAOYSA-N
XLogP2.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tetraethyl pentane-1,2,4,5-tetracarboxylate
CID 12576810
diethyl 2-(3-aminopropyl)butanedioate
CID 90300606
diethyl 2-octylbutanedioate
CID 15054026
ethene;ethyl 2-propylpentanoate
CID 160741230
ethyl butanoate;N-ethylethanamine;hydrochloride
CID 175038746
diethyl (2S)-2-(2-methylpropyl)butanedioate
CID 102063986
ethyl 3-(2-propylpentanoylamino)propanoate
CID 23363631
ethyl 2-(ethoxymethyl)pentanoate
CID 140987301
diethyl 3-butanoylpentanedioate
CID 176850619
diethyl 3-oxaldehydoylpentanedioate
CID 12902392
ethyl 2-(methoxymethyl)pentanoate
CID 141084723
N-ethylethanamine;ethyl octanoate
CID 175032513

Frequently Asked Questions

What is the IUPAC name of diethyl 2-propylbutanedioate;N-ethylethanamine?
The IUPAC name of diethyl 2-propylbutanedioate;N-ethylethanamine (CID 174714247) is diethyl 2-propylbutanedioate;N-ethylethanamine.
What is the SMILES notation for diethyl 2-propylbutanedioate;N-ethylethanamine?
The canonical SMILES for diethyl 2-propylbutanedioate;N-ethylethanamine is CCCC(CC(=O)OCC)C(=O)OCC.CCNCC.
What is the InChIKey of diethyl 2-propylbutanedioate;N-ethylethanamine?
The InChIKey is SWJOGLAFKWZMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4.C4H11N/c1-4-7-9(11(13)15-6-3)8-10(12)14-5-2;1-3-5-4-2/h9H,4-8H2,1-3H3;5H,3-4H2,1-2H3.
What are the key properties of diethyl 2-propylbutanedioate;N-ethylethanamine?
diethyl 2-propylbutanedioate;N-ethylethanamine has a molecular weight of 289.42 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-propylbutanedioate;N-ethylethanamine is sourced from PubChem (CID 174714247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).