N-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid

C8H16F3N3O3 — CID 155083759

IUPACN-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)NCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N3O.C2HF3O2/c1-9(2)5-6(10)8-4-3-7;3-2(4,5)1(6)7/h3-5,7H2,1-2H3,(H,8,10);(H,6,7)
InChIKeyKAJZQJKHAYLMAX-UHFFFAOYSA-N
MW259.23 g/mol
LogP-0.74
Rot. Bonds4

About N-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid

N-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155083759) has the molecular formula C8H16F3N3O3 and a molecular weight of 259.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid
PubChem CID155083759
Molecular FormulaC8H16F3N3O3
Molecular Weight259.23 g/mol
Exact Mass259.11
IUPAC NameN-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)NCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N3O.C2HF3O2/c1-9(2)5-6(10)8-4-3-7;3-2(4,5)1(6)7/h3-5,7H2,1-2H3,(H,8,10);(H,6,7)
InChIKeyKAJZQJKHAYLMAX-UHFFFAOYSA-N
XLogP-0.74
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroacetic acid; 2,2,2-trifluoro-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 388777
2-amino-N,N-dipropylpropanamide;2,2,2-trifluoroacetic acid
CID 19827986
2-amino-N-(3-methylbutyl)acetamide;2,2,2-trifluoroacetic acid
CID 20142129
H-Gly-Gly-Gly-Gly-Gly-Gly-OH.TFA
CID 20523592
1-Piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 21836546
2-(Dimethylamino)acetamide;2,2,2-trifluoroacetic acid
CID 21896818
2-amino-N,N-dimethylacetamide trifluoroacetate
CID 21936803
N,N-dimethyl-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid
CID 21936835
2-amino-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 21936858
1-(2-Fluoroethyl)-2-oxopiperazine trifluoroacetate
CID 22716476
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide
CID 44769606
1-Methylpiperazin-2-one trifluoroacetate
CID 46737077

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid (CID 155083759) is N-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid is CN(C)CC(=O)NCCN.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is KAJZQJKHAYLMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O.C2HF3O2/c1-9(2)5-6(10)8-4-3-7;3-2(4,5)1(6)7/h3-5,7H2,1-2H3,(H,8,10);(H,6,7).
What are the key properties of N-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid?
N-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 259.23 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155083759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).