3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide

C9H18F3N3O — CID 107494870

IUPAC3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN(CCN)CC(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-14(2)8(16)3-5-15(6-4-13)7-9(10,11)12/h3-7,13H2,1-2H3
InChIKeyBRWWJQWFXOPURC-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.29
Rot. Bonds6

About 3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide

3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide (PubChem CID 107494870) has the molecular formula C9H18F3N3O and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide
PubChem CID107494870
Molecular FormulaC9H18F3N3O
Molecular Weight241.26 g/mol
Exact Mass241.14
IUPAC Name3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN(CCN)CC(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-14(2)8(16)3-5-15(6-4-13)7-9(10,11)12/h3-7,13H2,1-2H3
InChIKeyBRWWJQWFXOPURC-UHFFFAOYSA-N
XLogP0.29
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide (CID 107494870) is 3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCN(CCN)CC(F)(F)F.
What is the InChIKey of 3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide?
The InChIKey is BRWWJQWFXOPURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O/c1-14(2)8(16)3-5-15(6-4-13)7-9(10,11)12/h3-7,13H2,1-2H3.
What are the key properties of 3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide?
3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide has a molecular weight of 241.26 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 107494870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).