2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide

C12H24F3N3O — CID 115571432

IUPAC2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC(C)(C)CN(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H24F3N3O/c1-9(10(19)17-7-12(13,14)15)16-6-11(2,3)8-18(4)5/h9,16H,6-8H2,1-5H3,(H,17,19)
InChIKeyIPYQIVUBXLUUMS-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.23
Rot. Bonds7

About 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115571432) has the molecular formula C12H24F3N3O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115571432
Molecular FormulaC12H24F3N3O
Molecular Weight283.34 g/mol
Exact Mass283.19
IUPAC Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC(C)(C)CN(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H24F3N3O/c1-9(10(19)17-7-12(13,14)15)16-6-11(2,3)8-18(4)5/h9,16H,6-8H2,1-5H3,(H,17,19)
InChIKeyIPYQIVUBXLUUMS-UHFFFAOYSA-N
XLogP1.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylpropanamide
CID 43086299
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-prop-2-ynylpropanamide
CID 43113233
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propanamide
CID 43086297
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104922013
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574936
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106254218
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571452
2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115598401
2-[(1-methylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103724720
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-prop-2-ynylpropanamide
CID 114150009
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106285348

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115571432) is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC(C)(C)CN(C)C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is IPYQIVUBXLUUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O/c1-9(10(19)17-7-12(13,14)15)16-6-11(2,3)8-18(4)5/h9,16H,6-8H2,1-5H3,(H,17,19).
What are the key properties of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 283.34 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115571432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).