2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate

C15H31NO2 — CID 137436474

IUPAC2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate
SMILESCC(C)CC(C)(C(=O)OCCN(C)C)C(C)(C)C
InChIInChI=1S/C15H31NO2/c1-12(2)11-15(6,14(3,4)5)13(17)18-10-9-16(7)8/h12H,9-11H2,1-8H3
InChIKeyUZZKYTMFVUAZSP-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.19
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate

2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate (PubChem CID 137436474) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate
PubChem CID137436474
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate
SMILESCC(C)CC(C)(C(=O)OCCN(C)C)C(C)(C)C
InChIInChI=1S/C15H31NO2/c1-12(2)11-15(6,14(3,4)5)13(17)18-10-9-16(7)8/h12H,9-11H2,1-8H3
InChIKeyUZZKYTMFVUAZSP-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 88569261
3-silylpropyl 2-tert-butyl-2,4-dimethylpentanoate
CID 123384477
2-(3-oxobutanoyloxy)ethyl 2-tert-butyl-2,4-dimethylpentanoate
CID 89143249
2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 89069139
1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2,2,4-trimethyl-4-(2-methylpropyl)pentanedioate
CID 131969809
ethane;2-[ethyl(propyl)amino]ethyl 2-ethyl-2,4-dimethylpentanoate
CID 142590813
2-(dimethylamino)ethyl 2-methyl-2-sulfanylbutanoate
CID 170292984
2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane
CID 142590810
2-(dimethylamino)ethyl 2-hydroxypropanoate
CID 14179203
3-(dimethylamino)propyl 2-methyl-2-sulfanylpropanoate
CID 163919328
4-[(2-methylpropan-2-yl)oxy]butan-2-yl 2-tert-butyl-2,4-dimethylpentanoate
CID 89324918
2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 118568248

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate (CID 137436474) is 2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate is CC(C)CC(C)(C(=O)OCCN(C)C)C(C)(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate?
The InChIKey is UZZKYTMFVUAZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-12(2)11-15(6,14(3,4)5)13(17)18-10-9-16(7)8/h12H,9-11H2,1-8H3.
What are the key properties of 2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate?
2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate has a molecular weight of 257.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-tert-butyl-2,4-dimethylpentanoate is sourced from PubChem (CID 137436474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).