4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide

C9H18F3N3O — CID 66429516

IUPAC4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide
SMILESCCCNC(=O)CC(CN)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-2-3-14-8(16)4-7(5-13)15-6-9(10,11)12/h7,15H,2-6,13H2,1H3,(H,14,16)
InChIKeyBRANKNYTFLZPOG-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.38
Rot. Bonds7

About 4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide

4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide (PubChem CID 66429516) has the molecular formula C9H18F3N3O and a molecular weight of 241.26 g/mol. Its IUPAC name is 4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide.

Molecular Properties

Compound Name4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide
PubChem CID66429516
Molecular FormulaC9H18F3N3O
Molecular Weight241.26 g/mol
Exact Mass241.14
IUPAC Name4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide
SMILESCCCNC(=O)CC(CN)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-2-3-14-8(16)4-7(5-13)15-6-9(10,11)12/h7,15H,2-6,13H2,1H3,(H,14,16)
InChIKeyBRANKNYTFLZPOG-UHFFFAOYSA-N
XLogP0.38
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide
CID 66432916
4-amino-N-methyl-3-(propylamino)butanamide
CID 66427140
3,4-diamino-N-propylbutanamide
CID 66426337
4,4,4-trifluoro-3-methyl-N-propylbutanamide
CID 162623070
4-amino-3-[2-(cyclopenten-1-yl)ethylamino]-N-propylbutanamide
CID 114153809
N'-ethyl-2-(2,2,2-trifluoroethylamino)butanediamide
CID 66427817
4-amino-3-(4-bromo-3,5-dimethylanilino)-N-propylbutanamide
CID 107573090
4-amino-3-(3-chloroanilino)-N-propylbutanamide
CID 66429319
4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide
CID 114838945
N,N'-dipropyl-2-(propylamino)butanediamide
CID 90878488
3,4-dimethyl-N-propylpentanamide
CID 89425193
4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide
CID 66426959

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide?
The IUPAC name of 4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide (CID 66429516) is 4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide.
What is the SMILES notation for 4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide?
The canonical SMILES for 4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide is CCCNC(=O)CC(CN)NCC(F)(F)F.
What is the InChIKey of 4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide?
The InChIKey is BRANKNYTFLZPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O/c1-2-3-14-8(16)4-7(5-13)15-6-9(10,11)12/h7,15H,2-6,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide?
4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide has a molecular weight of 241.26 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide is sourced from PubChem (CID 66429516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).