2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate

C15H31NO2 — CID 89069139

IUPAC2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate
SMILESCN(C)CCOC(=O)C(C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31NO2/c1-13(2,3)15(7,14(4,5)6)12(17)18-11-10-16(8)9/h10-11H2,1-9H3
InChIKeyIOHCKEOCLIPATP-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.19
Rot. Bonds4

About 2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate

2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate (PubChem CID 89069139) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate
PubChem CID89069139
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate
SMILESCN(C)CCOC(=O)C(C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31NO2/c1-13(2,3)15(7,14(4,5)6)12(17)18-11-10-16(8)9/h10-11H2,1-9H3
InChIKeyIOHCKEOCLIPATP-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

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CID 170292984
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CID 91448235
2-O-[2-(dimethylamino)ethyl] 5-O,9-O-dimethyl 2,2,3,4,4,5,5,6,7,7,9,9,10,11-tetradecamethyldodecane-2,5,9-tricarboxylate
CID 146335552
2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate
CID 20759309
2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 88569261
2-[5-[2-(dimethylamino)ethoxy]-2-ethyl-2,4,4-trimethyl-5-oxopentanoyl]oxyethyl-trimethylazanium
CID 158569103
2-(dimethylamino)ethyl 2-methyl-2-propylhexanoate
CID 142030334
4-(dimethylamino)butyl 2,2-dimethylbutanoate
CID 58545338
3-(dimethylamino)propyl 2-methyl-2-sulfanylpropanoate
CID 163919328
1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2,2,4-trimethyl-4-(2-methylpropyl)pentanedioate
CID 131969809
2-(dimethylamino)ethyl N,N-dimethylcarbamate
CID 15114748

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate (CID 89069139) is 2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate is CN(C)CCOC(=O)C(C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate?
The InChIKey is IOHCKEOCLIPATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-13(2,3)15(7,14(4,5)6)12(17)18-11-10-16(8)9/h10-11H2,1-9H3.
What are the key properties of 2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate?
2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate has a molecular weight of 257.42 g/mol, XLogP of 3.19, 4 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-2,3,3-trimethylbutanoate is sourced from PubChem (CID 89069139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).