ethyl 4-(2-ethylhexylamino)butanoate

C14H29NO2 — CID 60683102

IUPACethyl 4-(2-ethylhexylamino)butanoate
SMILESCCCCC(CC)CNCCCC(=O)OCC
InChIInChI=1S/C14H29NO2/c1-4-7-9-13(5-2)12-15-11-8-10-14(16)17-6-3/h13,15H,4-12H2,1-3H3
InChIKeyJOMLKQIRYGSOOJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.14
Rot. Bonds11

About ethyl 4-(2-ethylhexylamino)butanoate

ethyl 4-(2-ethylhexylamino)butanoate (PubChem CID 60683102) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is ethyl 4-(2-ethylhexylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-ethylhexylamino)butanoate
PubChem CID60683102
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Nameethyl 4-(2-ethylhexylamino)butanoate
SMILESCCCCC(CC)CNCCCC(=O)OCC
InChIInChI=1S/C14H29NO2/c1-4-7-9-13(5-2)12-15-11-8-10-14(16)17-6-3/h13,15H,4-12H2,1-3H3
InChIKeyJOMLKQIRYGSOOJ-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.14
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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Related Compounds

ethyl 5-ethylheptanoate
CID 57319942
2-ethyl-N-pentylhexan-1-amine
CID 43081963
ethyl (5R)-5-hydroxynonanoate
CID 118890324
ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585
ethyl 6-pentylpentadecanoate
CID 86165388
N-[2-(2-ethylhexylamino)ethyl]acetamide
CID 60683101
2-[(4-ethoxy-4-oxobutyl)amino]hexanoic acid
CID 103252920
propyl 6-[bis(2-ethylhexyl)amino]-6-oxohexanoate
CID 91717811
4-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]butanamide
CID 60909126
bis[(2R)-2-ethylhexyl] nonanedioate
CID 25113357
ethyl 4-ethyl-7-iodoheptanoate
CID 54154836
bis(2-ethylhexyl) nonanedioate
CID 7642

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethylhexylamino)butanoate?
The IUPAC name of ethyl 4-(2-ethylhexylamino)butanoate (CID 60683102) is ethyl 4-(2-ethylhexylamino)butanoate.
What is the SMILES notation for ethyl 4-(2-ethylhexylamino)butanoate?
The canonical SMILES for ethyl 4-(2-ethylhexylamino)butanoate is CCCCC(CC)CNCCCC(=O)OCC.
What is the InChIKey of ethyl 4-(2-ethylhexylamino)butanoate?
The InChIKey is JOMLKQIRYGSOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-7-9-13(5-2)12-15-11-8-10-14(16)17-6-3/h13,15H,4-12H2,1-3H3.
What are the key properties of ethyl 4-(2-ethylhexylamino)butanoate?
ethyl 4-(2-ethylhexylamino)butanoate has a molecular weight of 243.39 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethylhexylamino)butanoate is sourced from PubChem (CID 60683102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).