2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate

C14H29NO2 — CID 142030334

IUPAC2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate
SMILESCCCCC(C)(CCC)C(=O)OCCN(C)C
InChIInChI=1S/C14H29NO2/c1-6-8-10-14(3,9-7-2)13(16)17-12-11-15(4)5/h6-12H2,1-5H3
InChIKeyMAZUSGFPJPLHHT-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.09
Rot. Bonds9

About 2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate

2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate (PubChem CID 142030334) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate
PubChem CID142030334
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate
SMILESCCCCC(C)(CCC)C(=O)OCCN(C)C
InChIInChI=1S/C14H29NO2/c1-6-8-10-14(3,9-7-2)13(16)17-12-11-15(4)5/h6-12H2,1-5H3
InChIKeyMAZUSGFPJPLHHT-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tetradecyl 2-methyl-2-propyldecanoate
CID 175595393
tetradecyl 2-methyl-2-propylundecanoate
CID 175595471
tetradecyl 2-butyl-2-methyldecanoate
CID 175595396
heptyl 2-butyl-2-methyloctanoate
CID 138503683
tridecyl 2-butyl-2-methyldecanoate
CID 175549124
undecyl 2-methyl-2-nonyltridecanoate
CID 175595362
decyl 2-methyl-2-pentyltetradecanoate
CID 175595411
2-(dimethylamino)ethyl 4,4-bis[2,2-bis(2,2-diethylbutyl)-4,4-diethylhexyl]-2,6,6-triethyl-2-methylundecanoate
CID 59456217
2-(4-butoxy-3,3-dimethyl-4-oxobutyl)-5-[2-(dimethylamino)ethoxycarbonyl]-5-methyl-2-propylheptanoic acid
CID 158032758
4-butoxycarbonyl-12-cyano-6-[2-(dimethylamino)ethoxycarbonyl]-8-hexoxycarbonyl-10-(2-methoxyethoxycarbonyl)-2,4,6,8,10,12-hexamethyl-2-propyltridecanoic acid
CID 163413652
CID 170522359
CID 170522359
4-methylheptan-4-yl 2-methyl-2-propylhexanoate
CID 170297698

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate (CID 142030334) is 2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate is CCCCC(C)(CCC)C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate?
The InChIKey is MAZUSGFPJPLHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-8-10-14(3,9-7-2)13(16)17-12-11-15(4)5/h6-12H2,1-5H3.
What are the key properties of 2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate?
2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate has a molecular weight of 243.39 g/mol, XLogP of 3.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate is sourced from PubChem (CID 142030334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).