2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide

C9H17F3N2O — CID 61264076

IUPAC2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)C(C)(C)N
InChIInChI=1S/C9H17F3N2O/c1-4-5-14(6-9(10,11)12)7(15)8(2,3)13/h4-6,13H2,1-3H3
InChIKeyHOIJZSSCLUTGHK-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.52
Rot. Bonds4

About 2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide

2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 61264076) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID61264076
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)C(C)(C)N
InChIInChI=1S/C9H17F3N2O/c1-4-5-14(6-9(10,11)12)7(15)8(2,3)13/h4-6,13H2,1-3H3
InChIKeyHOIJZSSCLUTGHK-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (CID 61264076) is 2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide is CCCN(CC(F)(F)F)C(=O)C(C)(C)N.
What is the InChIKey of 2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HOIJZSSCLUTGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-4-5-14(6-9(10,11)12)7(15)8(2,3)13/h4-6,13H2,1-3H3.
What are the key properties of 2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 226.24 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 61264076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).