ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate

C14H30N2O2 — CID 61325588

IUPACethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate
SMILESCCOC(=O)C(NCCN(CC)CC)C(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-7-16(8-2)11-10-15-12(14(4,5)6)13(17)18-9-3/h12,15H,7-11H2,1-6H3
InChIKeyUQNXOCMJSBCNDL-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.90
Rot. Bonds8

About ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate

ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate (PubChem CID 61325588) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate.

Molecular Properties

Compound Nameethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate
PubChem CID61325588
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nameethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate
SMILESCCOC(=O)C(NCCN(CC)CC)C(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-7-16(8-2)11-10-15-12(14(4,5)6)13(17)18-9-3/h12,15H,7-11H2,1-6H3
InChIKeyUQNXOCMJSBCNDL-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-methoxyethylamino)-3,3-dimethylbutanoate
CID 62540120
ethyl 2-[2-(diethylamino)ethylamino]pentanoate
CID 54890434
ethyl 2-[2-[ethyl(propyl)amino]ethylcarbamoyl]-3,3-dimethylbutanoate
CID 104917991
ethyl 2-[2-(diethylamino)ethylamino]-4-methylsulfanylbutanoate
CID 54890480
ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 60994518
3,3-dimethyl-2-(propylamino)butanamide
CID 61325789
ethyl (2S)-2-(methanesulfonamido)-3,3-dimethylbutanoate
CID 15321974
ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
CID 60994243
ethyl 2-[2-(diethylamino)ethylamino]-2-(3-methylimidazol-4-yl)acetate
CID 66117956
ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate
CID 60993509
3,3-dimethyl-2-(propylamino)butanoic acid
CID 61326415
3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one
CID 89032849

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate?
The IUPAC name of ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate (CID 61325588) is ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate.
What is the SMILES notation for ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate?
The canonical SMILES for ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate is CCOC(=O)C(NCCN(CC)CC)C(C)(C)C.
What is the InChIKey of ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate?
The InChIKey is UQNXOCMJSBCNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-7-16(8-2)11-10-15-12(14(4,5)6)13(17)18-9-3/h12,15H,7-11H2,1-6H3.
What are the key properties of ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate?
ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate has a molecular weight of 258.41 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanoate is sourced from PubChem (CID 61325588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).