2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate

C14H29NO2 — CID 65220547

IUPAC2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate
SMILESCCCCC(CC)COC(=O)C(CN)C(C)C
InChIInChI=1S/C14H29NO2/c1-5-7-8-12(6-2)10-17-14(16)13(9-15)11(3)4/h11-13H,5-10,15H2,1-4H3
InChIKeyIPBZZTXKEVAWMV-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.98
Rot. Bonds9

About 2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate

2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate (PubChem CID 65220547) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate.

Molecular Properties

Compound Name2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate
PubChem CID65220547
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate
SMILESCCCCC(CC)COC(=O)C(CN)C(C)C
InChIInChI=1S/C14H29NO2/c1-5-7-8-12(6-2)10-17-14(16)13(9-15)11(3)4/h11-13H,5-10,15H2,1-4H3
InChIKeyIPBZZTXKEVAWMV-UHFFFAOYSA-N
XLogP2.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylhexyl (2S)-2-amino-3-methylbutanoate
CID 61302679
2-ethylhexyl 2-methylbutanoate
CID 3023949
2-ethylhexyl 4-ethyl-2-methyloctanoate
CID 150137070
2-ethylhexyl 2-aminohexanoate
CID 61303871
acetic acid;2-ethylhexyl acetate
CID 159619780
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199
2-ethylhexyl 2-[2-ethylhexoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91737930
2-ethylhexyl 2-amino-3-hydroxybutanoate
CID 61302291
2-ethylhexyl 2-(methylamino)propanoate
CID 62638367
2-ethylhexyl 4-ethyl-2-(2-ethylhexyl)octanoate
CID 91272918
2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate
CID 150485594
pentyl 2-(aminomethyl)-3-methylbutanoate
CID 65218144

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate?
The IUPAC name of 2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate (CID 65220547) is 2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate.
What is the SMILES notation for 2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate?
The canonical SMILES for 2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate is CCCCC(CC)COC(=O)C(CN)C(C)C.
What is the InChIKey of 2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate?
The InChIKey is IPBZZTXKEVAWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-7-8-12(6-2)10-17-14(16)13(9-15)11(3)4/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate?
2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate has a molecular weight of 243.39 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate is sourced from PubChem (CID 65220547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).