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

C10H20F3N3O — CID 66432916

IUPAC4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide
SMILESCCN(CC)C(=O)CC(CN)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-3-16(4-2)9(17)5-8(6-14)15-7-10(11,12)13/h8,15H,3-7,14H2,1-2H3
InChIKeyRPFKAGSVDXTOMT-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.72
Rot. Bonds7

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

4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide (PubChem CID 66432916) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide.

Molecular Properties

Compound Name4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide
PubChem CID66432916
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide
SMILESCCN(CC)C(=O)CC(CN)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-3-16(4-2)9(17)5-8(6-14)15-7-10(11,12)13/h8,15H,3-7,14H2,1-2H3
InChIKeyRPFKAGSVDXTOMT-UHFFFAOYSA-N
XLogP0.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide
CID 106841213
4-amino-N-propyl-3-(2,2,2-trifluoroethylamino)butanamide
CID 66429516
N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 24704116
2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide
CID 103390839
3-(aminomethyl)-N,N-diethyl-5-methylhexanamide
CID 25143769
4-amino-3-(4-bromo-3-chloroanilino)-N,N-diethylbutanamide
CID 107619662
4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide
CID 66432910
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914738
3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 65379067
5-methylsulfanyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 103088956
4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide
CID 66431882
methyl 4-(diethylamino)-2-methyl-4-oxobutanoate
CID 66561990

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide?
The IUPAC name of 4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide (CID 66432916) is 4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide.
What is the SMILES notation for 4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide?
The canonical SMILES for 4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide is CCN(CC)C(=O)CC(CN)NCC(F)(F)F.
What is the InChIKey of 4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide?
The InChIKey is RPFKAGSVDXTOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-3-16(4-2)9(17)5-8(6-14)15-7-10(11,12)13/h8,15H,3-7,14H2,1-2H3.
What are the key properties of 4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide?
4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide has a molecular weight of 255.28 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-diethyl-3-(2,2,2-trifluoroethylamino)butanamide is sourced from PubChem (CID 66432916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).