ethyl butanoate;N-ethylethanamine;hydrochloride

C10H24ClNO2 — CID 175038746

IUPACethyl butanoate;N-ethylethanamine;hydrochloride
SMILESCCCC(=O)OCC.CCNCC.Cl
InChIInChI=1S/C6H12O2.C4H11N.ClH/c1-3-5-6(7)8-4-2;1-3-5-4-2;/h3-5H2,1-2H3;5H,3-4H2,1-2H3;1H
InChIKeyVHYCIGFIPPQBLW-UHFFFAOYSA-N
MW225.76 g/mol
LogP2.39
Rot. Bonds5

About ethyl butanoate;N-ethylethanamine;hydrochloride

ethyl butanoate;N-ethylethanamine;hydrochloride (PubChem CID 175038746) has the molecular formula C10H24ClNO2 and a molecular weight of 225.76 g/mol. Its IUPAC name is ethyl butanoate;N-ethylethanamine;hydrochloride.

Molecular Properties

Compound Nameethyl butanoate;N-ethylethanamine;hydrochloride
PubChem CID175038746
Molecular FormulaC10H24ClNO2
Molecular Weight225.76 g/mol
Exact Mass225.15
IUPAC Nameethyl butanoate;N-ethylethanamine;hydrochloride
SMILESCCCC(=O)OCC.CCNCC.Cl
InChIInChI=1S/C6H12O2.C4H11N.ClH/c1-3-5-6(7)8-4-2;1-3-5-4-2;/h3-5H2,1-2H3;5H,3-4H2,1-2H3;1H
InChIKeyVHYCIGFIPPQBLW-UHFFFAOYSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
ethyl butanoate;formic acid
CID 160963123
N-ethylethanamine;ethyl octanoate
CID 175032513
butane-2,3-dione;ethyl butanoate
CID 158568600
ethyl butanoate;ethyl propanoate
CID 159309203
(3-ethoxy-3-oxopropyl) butanoate
CID 86150326
ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585
hydrazinyl butanoate;hydrochloride
CID 87356625
butan-1-ol;ethyl butanoate;methane
CID 159268978
diethyl 2-propylbutanedioate;N-ethylethanamine
CID 174714247
ethyl butanoate;hexanal
CID 88606790

Frequently Asked Questions

What is the IUPAC name of ethyl butanoate;N-ethylethanamine;hydrochloride?
The IUPAC name of ethyl butanoate;N-ethylethanamine;hydrochloride (CID 175038746) is ethyl butanoate;N-ethylethanamine;hydrochloride.
What is the SMILES notation for ethyl butanoate;N-ethylethanamine;hydrochloride?
The canonical SMILES for ethyl butanoate;N-ethylethanamine;hydrochloride is CCCC(=O)OCC.CCNCC.Cl.
What is the InChIKey of ethyl butanoate;N-ethylethanamine;hydrochloride?
The InChIKey is VHYCIGFIPPQBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H11N.ClH/c1-3-5-6(7)8-4-2;1-3-5-4-2;/h3-5H2,1-2H3;5H,3-4H2,1-2H3;1H.
What are the key properties of ethyl butanoate;N-ethylethanamine;hydrochloride?
ethyl butanoate;N-ethylethanamine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl butanoate;N-ethylethanamine;hydrochloride is sourced from PubChem (CID 175038746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).