2-ethylhexyl 2-(methylamino)propanoate

C12H25NO2 — CID 62638367

IUPAC2-ethylhexyl 2-(methylamino)propanoate
SMILESCCCCC(CC)COC(=O)C(C)NC
InChIInChI=1S/C12H25NO2/c1-5-7-8-11(6-2)9-15-12(14)10(3)13-4/h10-11,13H,5-9H2,1-4H3
InChIKeyIBQNLJJHQQHFIF-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.35
Rot. Bonds8

About 2-ethylhexyl 2-(methylamino)propanoate

2-ethylhexyl 2-(methylamino)propanoate (PubChem CID 62638367) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethylhexyl 2-(methylamino)propanoate.

Molecular Properties

Compound Name2-ethylhexyl 2-(methylamino)propanoate
PubChem CID62638367
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethylhexyl 2-(methylamino)propanoate
SMILESCCCCC(CC)COC(=O)C(C)NC
InChIInChI=1S/C12H25NO2/c1-5-7-8-11(6-2)9-15-12(14)10(3)13-4/h10-11,13H,5-9H2,1-4H3
InChIKeyIBQNLJJHQQHFIF-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylhexyl 2-methylbutanoate
CID 3023949
2-ethylhexyl 4-ethyl-2-methyloctanoate
CID 150137070
2-ethylhexyl (2S)-2-amino-3-methylbutanoate
CID 61302679
2-ethylhexyl 2-aminopropanoate;methanesulfonic acid
CID 137379032
2-ethylhexyl 2-aminohexanoate
CID 61303871
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199
2-ethylhexyl 2-amino-3-hydroxybutanoate
CID 61302291
2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate
CID 150485594
2-ethylhexyl 4-ethyl-2-(2-ethylhexyl)octanoate
CID 91272918
2-ethylhexyl 5-methylhexanoate
CID 129117635
2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate
CID 65220547
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-(methylamino)propanoate?
The IUPAC name of 2-ethylhexyl 2-(methylamino)propanoate (CID 62638367) is 2-ethylhexyl 2-(methylamino)propanoate.
What is the SMILES notation for 2-ethylhexyl 2-(methylamino)propanoate?
The canonical SMILES for 2-ethylhexyl 2-(methylamino)propanoate is CCCCC(CC)COC(=O)C(C)NC.
What is the InChIKey of 2-ethylhexyl 2-(methylamino)propanoate?
The InChIKey is IBQNLJJHQQHFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-7-8-11(6-2)9-15-12(14)10(3)13-4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2-ethylhexyl 2-(methylamino)propanoate?
2-ethylhexyl 2-(methylamino)propanoate has a molecular weight of 215.34 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-(methylamino)propanoate is sourced from PubChem (CID 62638367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).