2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate

C14H29NO3 — CID 144938097

IUPAC2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate
SMILESCN(C)CCOC(=O)C(CC(C)(C)C)C(C)(C)O
InChIInChI=1S/C14H29NO3/c1-13(2,3)10-11(14(4,5)17)12(16)18-9-8-15(6)7/h11,17H,8-10H2,1-7H3
InChIKeyJRWJKOBEWQZZFS-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.91
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate

2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate (PubChem CID 144938097) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate
PubChem CID144938097
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate
SMILESCN(C)CCOC(=O)C(CC(C)(C)C)C(C)(C)O
InChIInChI=1S/C14H29NO3/c1-13(2,3)10-11(14(4,5)17)12(16)18-9-8-15(6)7/h11,17H,8-10H2,1-7H3
InChIKeyJRWJKOBEWQZZFS-UHFFFAOYSA-N
XLogP1.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate (CID 144938097) is 2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate is CN(C)CCOC(=O)C(CC(C)(C)C)C(C)(C)O.
What is the InChIKey of 2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate?
The InChIKey is JRWJKOBEWQZZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-13(2,3)10-11(14(4,5)17)12(16)18-9-8-15(6)7/h11,17H,8-10H2,1-7H3.
What are the key properties of 2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate?
2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate has a molecular weight of 259.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-(2-hydroxypropan-2-yl)-4,4-dimethylpentanoate is sourced from PubChem (CID 144938097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).