2-(Dipropylamino)ethyl 2,2-dimethylbutanoate

C14H29NO2 — CID 59657194

IUPAC2-(dipropylamino)ethyl 2,2-dimethylbutanoate
SMILESCCCN(CCC)CCOC(=O)C(C)(C)CC
InChIInChI=1S/C14H29NO2/c1-6-9-15(10-7-2)11-12-17-13(16)14(4,5)8-3/h6-12H2,1-5H3
InChIKeyGQBOMFVTFGSZCB-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.70
Rot. Bonds10

About 2-(Dipropylamino)ethyl 2,2-dimethylbutanoate

2-(Dipropylamino)ethyl 2,2-dimethylbutanoate (PubChem CID 59657194) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(dipropylamino)ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(Dipropylamino)ethyl 2,2-dimethylbutanoate
PubChem CID59657194
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-(dipropylamino)ethyl 2,2-dimethylbutanoate
SMILESCCCN(CCC)CCOC(=O)C(C)(C)CC
InChIInChI=1S/C14H29NO2/c1-6-9-15(10-7-2)11-12-17-13(16)14(4,5)8-3/h6-12H2,1-5H3
InChIKeyGQBOMFVTFGSZCB-UHFFFAOYSA-N
XLogP3.70
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity208

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(Dipropylamino)ethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-(Dipropylamino)ethyl 2,2-dimethylbutanoate (CID 59657194) is 2-(dipropylamino)ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(Dipropylamino)ethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(Dipropylamino)ethyl 2,2-dimethylbutanoate is CCCN(CCC)CCOC(=O)C(C)(C)CC.
What is the InChIKey of 2-(Dipropylamino)ethyl 2,2-dimethylbutanoate?
The InChIKey is GQBOMFVTFGSZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-9-15(10-7-2)11-12-17-13(16)14(4,5)8-3/h6-12H2,1-5H3.
What are the key properties of 2-(Dipropylamino)ethyl 2,2-dimethylbutanoate?
2-(Dipropylamino)ethyl 2,2-dimethylbutanoate has a molecular weight of 243.39 g/mol, XLogP of 3.70, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Dipropylamino)ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 59657194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).