N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide

C12H25F3N4O — CID 22242696

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide
SMILESNCCCNCCCCNCCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H25F3N4O/c13-12(14,15)11(20)19-10-4-9-18-7-2-1-6-17-8-3-5-16/h17-18H,1-10,16H2,(H,19,20)
InChIKeyLQBYSJFBWUOZIS-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.36
Rot. Bonds12

About N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide

N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide (PubChem CID 22242696) has the molecular formula C12H25F3N4O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide
PubChem CID22242696
Molecular FormulaC12H25F3N4O
Molecular Weight298.35 g/mol
Exact Mass298.20
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide
SMILESNCCCNCCCCNCCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H25F3N4O/c13-12(14,15)11(20)19-10-4-9-18-7-2-1-6-17-8-3-5-16/h17-18H,1-10,16H2,(H,19,20)
InChIKeyLQBYSJFBWUOZIS-UHFFFAOYSA-N
XLogP0.36
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide 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-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide (CID 22242696) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide is NCCCNCCCCNCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is LQBYSJFBWUOZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N4O/c13-12(14,15)11(20)19-10-4-9-18-7-2-1-6-17-8-3-5-16/h17-18H,1-10,16H2,(H,19,20).
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 298.35 g/mol, XLogP of 0.36, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 22242696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).