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

C7H14F3N3O — CID 90238663

IUPAC2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCN(C)CC(N)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-13(2)3-5(11)6(14)12-4-7(8,9)10/h5H,3-4,11H2,1-2H3,(H,12,14)
InChIKeyZASCPMPFZDKNAG-UHFFFAOYSA-N
MW213.20 g/mol
LogP-0.45
Rot. Bonds4

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

2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 90238663) has the molecular formula C7H14F3N3O and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID90238663
Molecular FormulaC7H14F3N3O
Molecular Weight213.20 g/mol
Exact Mass213.11
IUPAC Name2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCN(C)CC(N)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-13(2)3-5(11)6(14)12-4-7(8,9)10/h5H,3-4,11H2,1-2H3,(H,12,14)
InChIKeyZASCPMPFZDKNAG-UHFFFAOYSA-N
XLogP-0.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 90238663) is 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide is CN(C)CC(N)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZASCPMPFZDKNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O/c1-13(2)3-5(11)6(14)12-4-7(8,9)10/h5H,3-4,11H2,1-2H3,(H,12,14).
What are the key properties of 2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 213.20 g/mol, XLogP of -0.45, 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 is sourced from PubChem (CID 90238663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).