2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride

C7H15ClF3N3O — CID 90238662

IUPAC2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
SMILESCN(C)CC(N)C(=O)NCC(F)(F)F.Cl
InChIInChI=1S/C7H14F3N3O.ClH/c1-13(2)3-5(11)6(14)12-4-7(8,9)10;/h5H,3-4,11H2,1-2H3,(H,12,14);1H
InChIKeyHCJUBKZKEQAZGM-UHFFFAOYSA-N
MW249.66 g/mol
LogP-0.02
Rot. Bonds4

About 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride

2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride (PubChem CID 90238662) has the molecular formula C7H15ClF3N3O and a molecular weight of 249.66 g/mol. Its IUPAC name is 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
PubChem CID90238662
Molecular FormulaC7H15ClF3N3O
Molecular Weight249.66 g/mol
Exact Mass249.09
IUPAC Name2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
SMILESCN(C)CC(N)C(=O)NCC(F)(F)F.Cl
InChIInChI=1S/C7H14F3N3O.ClH/c1-13(2)3-5(11)6(14)12-4-7(8,9)10;/h5H,3-4,11H2,1-2H3,(H,12,14);1H
InChIKeyHCJUBKZKEQAZGM-UHFFFAOYSA-N
XLogP-0.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 122359947
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
(2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 119290996
1-amino-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea;hydrochloride
CID 86722580
2-amino-3-methoxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 81082824
(2S)-2-amino-3-(dimethylamino)propanoic acid;hydrate;dihydrochloride
CID 90471472
(2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide
CID 97237748
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571432
[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]azanium chloride
CID 90216700
(2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide
CID 86762421
[[(2S)-2-amino-3-(dimethylamino)propanoyl]amino] propanoate
CID 174817609
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119830610

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride (CID 90238662) is 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride is CN(C)CC(N)C(=O)NCC(F)(F)F.Cl.
What is the InChIKey of 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
The InChIKey is HCJUBKZKEQAZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O.ClH/c1-13(2)3-5(11)6(14)12-4-7(8,9)10;/h5H,3-4,11H2,1-2H3,(H,12,14);1H.
What are the key properties of 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride has a molecular weight of 249.66 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride is sourced from PubChem (CID 90238662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).