N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

C10H16F6N4O2 — CID 21223133

IUPACN-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESNCCNCCNCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C10H16F6N4O2/c11-9(12,13)7(21)20(8(22)10(14,15)16)6-5-19-4-3-18-2-1-17/h18-19H,1-6,17H2
InChIKeyLERNJJODFYBJTA-UHFFFAOYSA-N
MW338.25 g/mol
LogP-0.40
Rot. Bonds8

About N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide

N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (PubChem CID 21223133) has the molecular formula C10H16F6N4O2 and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
PubChem CID21223133
Molecular FormulaC10H16F6N4O2
Molecular Weight338.25 g/mol
Exact Mass338.12
IUPAC NameN-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SMILESNCCNCCNCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C10H16F6N4O2/c11-9(12,13)7(21)20(8(22)10(14,15)16)6-5-19-4-3-18-2-1-17/h18-19H,1-6,17H2
InChIKeyLERNJJODFYBJTA-UHFFFAOYSA-N
XLogP-0.40
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)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 N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The IUPAC name of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide (CID 21223133) is N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide.
What is the SMILES notation for N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The canonical SMILES for N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is NCCNCCNCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
The InChIKey is LERNJJODFYBJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6N4O2/c11-9(12,13)7(21)20(8(22)10(14,15)16)6-5-19-4-3-18-2-1-17/h18-19H,1-6,17H2.
What are the key properties of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide?
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide has a molecular weight of 338.25 g/mol, XLogP of -0.40, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide is sourced from PubChem (CID 21223133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).