2-(dimethylamino)ethyl 2,3-dimethylbutanoate

C10H21NO2 — CID 153241938

IUPAC2-(dimethylamino)ethyl 2,3-dimethylbutanoate
SMILESCC(C)C(C)C(=O)OCCN(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)9(3)10(12)13-7-6-11(4)5/h8-9H,6-7H2,1-5H3
InChIKeyWRPMXFBWZDCHHE-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.38
Rot. Bonds5

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

2-(dimethylamino)ethyl 2,3-dimethylbutanoate (PubChem CID 153241938) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2,3-dimethylbutanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2,3-dimethylbutanoate
PubChem CID153241938
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-(dimethylamino)ethyl 2,3-dimethylbutanoate
SMILESCC(C)C(C)C(=O)OCCN(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)9(3)10(12)13-7-6-11(4)5/h8-9H,6-7H2,1-5H3
InChIKeyWRPMXFBWZDCHHE-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)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-(dimethylamino)ethyl 2-hydroxypropanoate
CID 14179203
bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate
CID 174588921
2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate
CID 147484902
2-[2-(2,3-dimethylbutanoyloxy)ethyl-[2-(2,3,3-trimethylbutanoyloxy)ethyl]amino]ethyl 2,3,3-trimethylbutanoate
CID 58882718
2-(dimethylamino)ethyl 2,3-diiodopropanoate
CID 147574545
2-(dimethylamino)ethyl N,N-dimethylcarbamate
CID 15114748
2-(aminomethyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methylbutanamide
CID 114127194
2-(dimethylamino)ethyl 2-amino-2-oxoacetate
CID 89128247
2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 2469416
1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2-bromo-4-methylpentanedioate
CID 20826091
4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
CID 170721410
1-O-[2-(dimethylamino)ethyl] 4-O-propan-2-yl but-2-enedioate
CID 85365439

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2,3-dimethylbutanoate?
The IUPAC name of 2-(dimethylamino)ethyl 2,3-dimethylbutanoate (CID 153241938) is 2-(dimethylamino)ethyl 2,3-dimethylbutanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2,3-dimethylbutanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2,3-dimethylbutanoate is CC(C)C(C)C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2,3-dimethylbutanoate?
The InChIKey is WRPMXFBWZDCHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)9(3)10(12)13-7-6-11(4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-(dimethylamino)ethyl 2,3-dimethylbutanoate?
2-(dimethylamino)ethyl 2,3-dimethylbutanoate has a molecular weight of 187.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2,3-dimethylbutanoate is sourced from PubChem (CID 153241938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).