1-(dipropylamino)ethyl butanoate

C12H25NO2 — CID 21484662

IUPAC1-(dipropylamino)ethyl butanoate
SMILESCCCC(=O)OC(C)N(CCC)CCC
InChIInChI=1S/C12H25NO2/c1-5-8-12(14)15-11(4)13(9-6-2)10-7-3/h11H,5-10H2,1-4H3
InChIKeyQAVPLHGHSPHIHE-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.80
Rot. Bonds8

About 1-(dipropylamino)ethyl butanoate

1-(dipropylamino)ethyl butanoate (PubChem CID 21484662) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(dipropylamino)ethyl butanoate.

Molecular Properties

Compound Name1-(dipropylamino)ethyl butanoate
PubChem CID21484662
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(dipropylamino)ethyl butanoate
SMILESCCCC(=O)OC(C)N(CCC)CCC
InChIInChI=1S/C12H25NO2/c1-5-8-12(14)15-11(4)13(9-6-2)10-7-3/h11H,5-10H2,1-4H3
InChIKeyQAVPLHGHSPHIHE-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-bromoethyl butanoate
CID 21202083
CID 174077427
CID 174077427
1-(dimethylamino)propan-2-yl butanoate
CID 23423565
[(2R)-1-oxopropan-2-yl] butanoate
CID 124506646
1-[methyl(octadecyl)amino]ethyl hexadecanoate
CID 19781253
1-(dimethylamino)ethyl nonanoate
CID 88815154
1,1,1-trifluoropropan-2-yl butanoate
CID 135290882
1-[2-hydroxyethyl(1-octadecanoyloxyethyl)amino]ethyl octadecanoate
CID 90103858
2-[2-(2-butanoyloxypropoxy)propoxy]propyl butanoate
CID 139914306
1-(dimethylamino)pentan-3-yl butanoate
CID 177025581
2-(2-butanoyloxypropoxy)propyl butanoate
CID 91036276
[(2S)-2-butanoyloxybutyl] butanoate
CID 129404084

Frequently Asked Questions

What is the IUPAC name of 1-(dipropylamino)ethyl butanoate?
The IUPAC name of 1-(dipropylamino)ethyl butanoate (CID 21484662) is 1-(dipropylamino)ethyl butanoate.
What is the SMILES notation for 1-(dipropylamino)ethyl butanoate?
The canonical SMILES for 1-(dipropylamino)ethyl butanoate is CCCC(=O)OC(C)N(CCC)CCC.
What is the InChIKey of 1-(dipropylamino)ethyl butanoate?
The InChIKey is QAVPLHGHSPHIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-8-12(14)15-11(4)13(9-6-2)10-7-3/h11H,5-10H2,1-4H3.
What are the key properties of 1-(dipropylamino)ethyl butanoate?
1-(dipropylamino)ethyl butanoate has a molecular weight of 215.34 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipropylamino)ethyl butanoate is sourced from PubChem (CID 21484662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).