3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid

C7H13F3N2O3 — CID 87228836

IUPAC3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)CCN.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O.C2HF3O2/c1-7(2)5(8)3-4-6;3-2(4,5)1(6)7/h3-4,6H2,1-2H3;(H,6,7)
InChIKeyQWRGYPNLYUHGHL-UHFFFAOYSA-N
MW230.19 g/mol
LogP0.06
Rot. Bonds2

About 3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid

3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 87228836) has the molecular formula C7H13F3N2O3 and a molecular weight of 230.19 g/mol. Its IUPAC name is 3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID87228836
Molecular FormulaC7H13F3N2O3
Molecular Weight230.19 g/mol
Exact Mass230.09
IUPAC Name3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)CCN.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O.C2HF3O2/c1-7(2)5(8)3-4-6;3-2(4,5)1(6)7/h3-4,6H2,1-2H3;(H,6,7)
InChIKeyQWRGYPNLYUHGHL-UHFFFAOYSA-N
XLogP0.06
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid (CID 87228836) is 3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)CCN.O=C(O)C(F)(F)F.
What is the InChIKey of 3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is QWRGYPNLYUHGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C2HF3O2/c1-7(2)5(8)3-4-6;3-2(4,5)1(6)7/h3-4,6H2,1-2H3;(H,6,7).
What are the key properties of 3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid?
3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 230.19 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87228836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).