ethane;ethyl 4-(propylamino)butanoate

C11H25NO2 — CID 143941566

IUPACethane;ethyl 4-(propylamino)butanoate
SMILESCC.CCCNCCCC(=O)OCC
InChIInChI=1S/C9H19NO2.C2H6/c1-3-7-10-8-5-6-9(11)12-4-2;1-2/h10H,3-8H2,1-2H3;1-2H3
InChIKeyHJGWDXJKRYEJEC-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.36
Rot. Bonds7

About ethane;ethyl 4-(propylamino)butanoate

ethane;ethyl 4-(propylamino)butanoate (PubChem CID 143941566) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;ethyl 4-(propylamino)butanoate.

Molecular Properties

Compound Nameethane;ethyl 4-(propylamino)butanoate
PubChem CID143941566
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Nameethane;ethyl 4-(propylamino)butanoate
SMILESCC.CCCNCCCC(=O)OCC
InChIInChI=1S/C9H19NO2.C2H6/c1-3-7-10-8-5-6-9(11)12-4-2;1-2/h10H,3-8H2,1-2H3;1-2H3
InChIKeyHJGWDXJKRYEJEC-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 4-(propylamino)butanoate?
The IUPAC name of ethane;ethyl 4-(propylamino)butanoate (CID 143941566) is ethane;ethyl 4-(propylamino)butanoate.
What is the SMILES notation for ethane;ethyl 4-(propylamino)butanoate?
The canonical SMILES for ethane;ethyl 4-(propylamino)butanoate is CC.CCCNCCCC(=O)OCC.
What is the InChIKey of ethane;ethyl 4-(propylamino)butanoate?
The InChIKey is HJGWDXJKRYEJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C2H6/c1-3-7-10-8-5-6-9(11)12-4-2;1-2/h10H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 4-(propylamino)butanoate?
ethane;ethyl 4-(propylamino)butanoate has a molecular weight of 203.33 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 4-(propylamino)butanoate is sourced from PubChem (CID 143941566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).