N-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

C8H15F3N2O2 — CID 103205418

IUPACN-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(CCN)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-13(4-3-12)7(14)2-5-15-6-8(9,10)11/h2-6,12H2,1H3
InChIKeyKSCZLHUOGDCQLB-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.37
Rot. Bonds6

About N-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103205418) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103205418
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC NameN-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCN(CCN)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-13(4-3-12)7(14)2-5-15-6-8(9,10)11/h2-6,12H2,1H3
InChIKeyKSCZLHUOGDCQLB-UHFFFAOYSA-N
XLogP0.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 103205418) is N-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is CN(CCN)C(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is KSCZLHUOGDCQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-13(4-3-12)7(14)2-5-15-6-8(9,10)11/h2-6,12H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 228.21 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103205418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).