N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline

C13H20F3N3 — CID 105328860

IUPACN,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline
SMILESCN(C)c1ccc(C(CCCC(F)(F)F)NN)cc1
InChIInChI=1S/C13H20F3N3/c1-19(2)11-7-5-10(6-8-11)12(18-17)4-3-9-13(14,15)16/h5-8,12,18H,3-4,9,17H2,1-2H3
InChIKeyPBVLLLXPEIPZIM-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.99
Rot. Bonds6

About N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline

N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline (PubChem CID 105328860) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline
PubChem CID105328860
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC NameN,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline
SMILESCN(C)c1ccc(C(CCCC(F)(F)F)NN)cc1
InChIInChI=1S/C13H20F3N3/c1-19(2)11-7-5-10(6-8-11)12(18-17)4-3-9-13(14,15)16/h5-8,12,18H,3-4,9,17H2,1-2H3
InChIKeyPBVLLLXPEIPZIM-UHFFFAOYSA-N
XLogP2.99
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline 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

[4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine
CID 105193990
4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline
CID 105334896
[1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105328955
(5,5,5-trifluoro-1-thiophen-3-ylpentyl)hydrazine
CID 105196769
[5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine
CID 105328962
[1-(4-chloro-3-fluorophenyl)-5,5,5-trifluoropentyl]hydrazine
CID 107997242
(5,5,5-trifluoro-1-pyridazin-4-ylpentyl)hydrazine
CID 105328969
4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline
CID 105314018
[1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105248935
4-(1-hydrazinylpentyl)phenol
CID 53402339
[5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine
CID 105328847
[1-(2-chloro-4-pyridinyl)-5,5,5-trifluoropentyl]hydrazine
CID 105252699

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline?
The IUPAC name of N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline (CID 105328860) is N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline is CN(C)c1ccc(C(CCCC(F)(F)F)NN)cc1.
What is the InChIKey of N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline?
The InChIKey is PBVLLLXPEIPZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-19(2)11-7-5-10(6-8-11)12(18-17)4-3-9-13(14,15)16/h5-8,12,18H,3-4,9,17H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline?
N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline has a molecular weight of 275.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline is sourced from PubChem (CID 105328860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).