2-(butylamino)ethyl 2,2-dimethylbutanoate

C12H25NO2 — CID 58152743

IUPAC2-(butylamino)ethyl 2,2-dimethylbutanoate
SMILESCCCCNCCOC(=O)C(C)(C)CC
InChIInChI=1S/C12H25NO2/c1-5-7-8-13-9-10-15-11(14)12(3,4)6-2/h13H,5-10H2,1-4H3
InChIKeyNVALBLSBOIOSGI-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.36
Rot. Bonds8

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

2-(butylamino)ethyl 2,2-dimethylbutanoate (PubChem CID 58152743) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(butylamino)ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(butylamino)ethyl 2,2-dimethylbutanoate
PubChem CID58152743
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(butylamino)ethyl 2,2-dimethylbutanoate
SMILESCCCCNCCOC(=O)C(C)(C)CC
InChIInChI=1S/C12H25NO2/c1-5-7-8-13-9-10-15-11(14)12(3,4)6-2/h13H,5-10H2,1-4H3
InChIKeyNVALBLSBOIOSGI-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(butylamino)ethyl 2,2-dimethylbutanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)ethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-(butylamino)ethyl 2,2-dimethylbutanoate (CID 58152743) is 2-(butylamino)ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(butylamino)ethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(butylamino)ethyl 2,2-dimethylbutanoate is CCCCNCCOC(=O)C(C)(C)CC.
What is the InChIKey of 2-(butylamino)ethyl 2,2-dimethylbutanoate?
The InChIKey is NVALBLSBOIOSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-7-8-13-9-10-15-11(14)12(3,4)6-2/h13H,5-10H2,1-4H3.
What are the key properties of 2-(butylamino)ethyl 2,2-dimethylbutanoate?
2-(butylamino)ethyl 2,2-dimethylbutanoate has a molecular weight of 215.34 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 58152743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).