N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide

C9H17F3N2O — CID 115715320

IUPACN,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide
SMILESCC(CC(F)(F)F)NCCC(=O)N(C)C
InChIInChI=1S/C9H17F3N2O/c1-7(6-9(10,11)12)13-5-4-8(15)14(2)3/h7,13H,4-6H2,1-3H3
InChIKeyWEMXBKVPORSUOD-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.40
Rot. Bonds5

About N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide

N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide (PubChem CID 115715320) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide
PubChem CID115715320
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide
SMILESCC(CC(F)(F)F)NCCC(=O)N(C)C
InChIInChI=1S/C9H17F3N2O/c1-7(6-9(10,11)12)13-5-4-8(15)14(2)3/h7,13H,4-6H2,1-3H3
InChIKeyWEMXBKVPORSUOD-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide
CID 60765757
(2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid
CID 83195023
N,N-dimethyl-3-(3-methylpentan-2-ylamino)propanamide
CID 60925489
N,N-dimethyl-3-(1-phenylpropan-2-ylamino)propanamide
CID 63011400
N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62647345
2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide
CID 103914269
N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine
CID 115705887
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60854503
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine
CID 115717067
N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane
CID 158948159
N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide
CID 103776091

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide?
The IUPAC name of N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide (CID 115715320) is N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide?
The canonical SMILES for N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide is CC(CC(F)(F)F)NCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide?
The InChIKey is WEMXBKVPORSUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7(6-9(10,11)12)13-5-4-8(15)14(2)3/h7,13H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide?
N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide has a molecular weight of 226.24 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide is sourced from PubChem (CID 115715320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).