2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide

C13H24F3N3O — CID 64711790

IUPAC2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide
SMILESCCN(CC(F)(F)F)C(C)CC(C)(NC1CC1)C(N)=O
InChIInChI=1S/C13H24F3N3O/c1-4-19(8-13(14,15)16)9(2)7-12(3,11(17)20)18-10-5-6-10/h9-10,18H,4-8H2,1-3H3,(H2,17,20)
InChIKeyTVGIZZPDXNFCHN-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.65
Rot. Bonds8

About 2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide

2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide (PubChem CID 64711790) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide
PubChem CID64711790
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide
SMILESCCN(CC(F)(F)F)C(C)CC(C)(NC1CC1)C(N)=O
InChIInChI=1S/C13H24F3N3O/c1-4-19(8-13(14,15)16)9(2)7-12(3,11(17)20)18-10-5-6-10/h9-10,18H,4-8H2,1-3H3,(H2,17,20)
InChIKeyTVGIZZPDXNFCHN-UHFFFAOYSA-N
XLogP1.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 64702637
2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide
CID 64710348
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide
CID 64712177
2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide
CID 64712180
4-(diethylamino)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64726179
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068
2-(cyclopropylamino)-4-[ethyl(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64710862
methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate
CID 64727139
2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide
CID 64712176
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propanamide
CID 63911283
ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate
CID 64726602
methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate
CID 64709838

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide?
The IUPAC name of 2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide (CID 64711790) is 2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide is CCN(CC(F)(F)F)C(C)CC(C)(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide?
The InChIKey is TVGIZZPDXNFCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-4-19(8-13(14,15)16)9(2)7-12(3,11(17)20)18-10-5-6-10/h9-10,18H,4-8H2,1-3H3,(H2,17,20).
What are the key properties of 2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide?
2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide has a molecular weight of 295.35 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide is sourced from PubChem (CID 64711790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).