2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate

C18H37NO2 — CID 144974044

IUPAC2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate
SMILESCCCCN(CCCC)CCOC(=O)C(C)(CC)C(C)C
InChIInChI=1S/C18H37NO2/c1-7-10-12-19(13-11-8-2)14-15-21-17(20)18(6,9-3)16(4)5/h16H,7-15H2,1-6H3
InChIKeyHBPIEQNMKKLJKL-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.50
Rot. Bonds12

About 2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate

2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate (PubChem CID 144974044) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate.

Molecular Properties

Compound Name2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate
PubChem CID144974044
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate
SMILESCCCCN(CCCC)CCOC(=O)C(C)(CC)C(C)C
InChIInChI=1S/C18H37NO2/c1-7-10-12-19(13-11-8-2)14-15-21-17(20)18(6,9-3)16(4)5/h16H,7-15H2,1-6H3
InChIKeyHBPIEQNMKKLJKL-UHFFFAOYSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane
CID 142590810
2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 118568248
tris[2-(dibutylamino)ethyl] 1,1,3,5-tetramethylheptane-1,3,5-tricarboxylate
CID 134463645
3-butoxycarbonyl-3,4-dimethylpentanoic acid
CID 126712682
N,N-dibutylbutan-1-amine;2-hydroxypropyl 2,2-dimethylpropanoate
CID 87633887
bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate
CID 169321458
methyl (2R)-2-ethyl-2,3-dimethylbutanoate
CID 118967887
2-(dimethylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 88569261
bis[2-(dihexylamino)ethyl] carbonate
CID 18944360
propan-2-yl 2-ethyl-2,3-dimethylbutanoate
CID 87568455
2-[di(propan-2-yl)amino]ethyl 2,3-dimethyl-2-propylpentanoate;ethane
CID 142590782
ethane;2-[ethyl(propyl)amino]ethyl 2-ethyl-2,4-dimethylpentanoate
CID 142590813

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate?
The IUPAC name of 2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate (CID 144974044) is 2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate.
What is the SMILES notation for 2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate?
The canonical SMILES for 2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate is CCCCN(CCCC)CCOC(=O)C(C)(CC)C(C)C.
What is the InChIKey of 2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate?
The InChIKey is HBPIEQNMKKLJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-7-10-12-19(13-11-8-2)14-15-21-17(20)18(6,9-3)16(4)5/h16H,7-15H2,1-6H3.
What are the key properties of 2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate?
2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate has a molecular weight of 299.50 g/mol, XLogP of 4.50, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)ethyl 2-ethyl-2,3-dimethylbutanoate is sourced from PubChem (CID 144974044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).