2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H20F3N3O — CID 63760259

IUPAC2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CCN)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-2-3-5-16(6-4-14)7-9(17)15-8-10(11,12)13/h2-8,14H2,1H3,(H,15,17)
InChIKeyWXAOSQQNIHUYPP-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.73
Rot. Bonds8

About 2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63760259) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63760259
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CCN)CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-2-3-5-16(6-4-14)7-9(17)15-8-10(11,12)13/h2-8,14H2,1H3,(H,15,17)
InChIKeyWXAOSQQNIHUYPP-UHFFFAOYSA-N
XLogP0.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide 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-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 63760259) is 2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CCN)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WXAOSQQNIHUYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-2-3-5-16(6-4-14)7-9(17)15-8-10(11,12)13/h2-8,14H2,1H3,(H,15,17).
What are the key properties of 2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 255.28 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(butyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63760259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).