2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide

C11H20F3N3O2 — CID 54872174

IUPAC2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(N)CC(N)=O
InChIInChI=1S/C11H20F3N3O2/c1-3-7(4-2)17(6-11(12,13)14)10(19)8(15)5-9(16)18/h7-8H,3-6,15H2,1-2H3,(H2,16,18)
InChIKeyFXIDRHULGUJRBV-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.77
Rot. Bonds7

About 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide

2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide (PubChem CID 54872174) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide
PubChem CID54872174
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(N)CC(N)=O
InChIInChI=1S/C11H20F3N3O2/c1-3-7(4-2)17(6-11(12,13)14)10(19)8(15)5-9(16)18/h7-8H,3-6,15H2,1-2H3,(H2,16,18)
InChIKeyFXIDRHULGUJRBV-UHFFFAOYSA-N
XLogP0.77
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide?
The IUPAC name of 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide (CID 54872174) is 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide.
What is the SMILES notation for 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide?
The canonical SMILES for 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide is CCC(CC)N(CC(F)(F)F)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide?
The InChIKey is FXIDRHULGUJRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-3-7(4-2)17(6-11(12,13)14)10(19)8(15)5-9(16)18/h7-8H,3-6,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide?
2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide has a molecular weight of 283.29 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanediamide is sourced from PubChem (CID 54872174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).