4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide

C9H17F3N2O — CID 81487620

IUPAC4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide
SMILESCNCC(C)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(5-13-2)6-14-8(15)3-4-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyQIWGUZXAMZKSEN-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.30
Rot. Bonds6

About 4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide

4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide (PubChem CID 81487620) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide
PubChem CID81487620
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide
SMILESCNCC(C)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(5-13-2)6-14-8(15)3-4-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyQIWGUZXAMZKSEN-UHFFFAOYSA-N
XLogP1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Butanamide, N-(2-methylpropyl)-
CID 346250
2,2,3,3,4,4,4-Heptafluoro-N-(2-methylpropyl)butanamide
CID 534742
N,N'-Bis(heptafluorobutyryl)putrescine
CID 614611
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5094771
2,2,2-trifluoro-N-[4-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]butyl]acetamide
CID 389609
N,N'-bis(Perfluorobutanoyl)1,3-propanediamine
CID 3817196
3,3,3-trifluoro-N-(2-methylpropyl)propanamide
CID 5123923
Butanamide, N-butyl-4-((2-methyl-1-oxopropyl)amino)-
CID 3067805
Trifluoroacetylspermine
CID 22242696
Pentafluoropropanamide, N-3-methylbutyl-
CID 91727024
Spermidine, N,N',N''-tris(heptafluorobutyryl)-
CID 91736167

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide (CID 81487620) is 4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide is CNCC(C)CNC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide?
The InChIKey is QIWGUZXAMZKSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7(5-13-2)6-14-8(15)3-4-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide?
4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide has a molecular weight of 226.24 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide is sourced from PubChem (CID 81487620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).