2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide

C12H24F3N3O — CID 64712176

IUPAC2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide
SMILESCNC(C)(CC(C)N(CC(F)(F)F)C(C)C)C(N)=O
InChIInChI=1S/C12H24F3N3O/c1-8(2)18(7-12(13,14)15)9(3)6-11(4,17-5)10(16)19/h8-9,17H,6-7H2,1-5H3,(H2,16,19)
InChIKeyCLTNEYUSIYFTHM-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.50
Rot. Bonds7

About 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide

2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide (PubChem CID 64712176) has the molecular formula C12H24F3N3O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide
PubChem CID64712176
Molecular FormulaC12H24F3N3O
Molecular Weight283.34 g/mol
Exact Mass283.19
IUPAC Name2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide
SMILESCNC(C)(CC(C)N(CC(F)(F)F)C(C)C)C(N)=O
InChIInChI=1S/C12H24F3N3O/c1-8(2)18(7-12(13,14)15)9(3)6-11(4,17-5)10(16)19/h8-9,17H,6-7H2,1-5H3,(H2,16,19)
InChIKeyCLTNEYUSIYFTHM-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide?
The IUPAC name of 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide (CID 64712176) is 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide is CNC(C)(CC(C)N(CC(F)(F)F)C(C)C)C(N)=O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide?
The InChIKey is CLTNEYUSIYFTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O/c1-8(2)18(7-12(13,14)15)9(3)6-11(4,17-5)10(16)19/h8-9,17H,6-7H2,1-5H3,(H2,16,19).
What are the key properties of 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide?
2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide has a molecular weight of 283.34 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide is sourced from PubChem (CID 64712176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).