N-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane

C12H25F3N2O — CID 143104403

IUPACN-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane
SMILESCC.CNC(CN(C)C(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H19F3N2O.C2H6/c1-9(2,3)7(14-4)6-15(5)8(16)10(11,12)13;1-2/h7,14H,6H2,1-5H3;1-2H3
InChIKeySSPIXZLPEKEWHS-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.67
Rot. Bonds3

About N-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane

N-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane (PubChem CID 143104403) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane.

Molecular Properties

Compound NameN-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane
PubChem CID143104403
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC NameN-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane
SMILESCC.CNC(CN(C)C(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H19F3N2O.C2H6/c1-9(2,3)7(14-4)6-15(5)8(16)10(11,12)13;1-2/h7,14H,6H2,1-5H3;1-2H3
InChIKeySSPIXZLPEKEWHS-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane?
The IUPAC name of N-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane (CID 143104403) is N-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane.
What is the SMILES notation for N-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane?
The canonical SMILES for N-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane is CC.CNC(CN(C)C(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane?
The InChIKey is SSPIXZLPEKEWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O.C2H6/c1-9(2,3)7(14-4)6-15(5)8(16)10(11,12)13;1-2/h7,14H,6H2,1-5H3;1-2H3.
What are the key properties of N-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane?
N-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane has a molecular weight of 270.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-2-(methylamino)butyl]-2,2,2-trifluoro-N-methylacetamide;ethane is sourced from PubChem (CID 143104403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).