3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine

C13H20F3N3 — CID 105259272

IUPAC3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine
SMILESCN(C)CCC(Cc1ccc(C(F)(F)F)cc1)NN
InChIInChI=1S/C13H20F3N3/c1-19(2)8-7-12(18-17)9-10-3-5-11(6-4-10)13(14,15)16/h3-6,12,18H,7-9,17H2,1-2H3
InChIKeyKLVYWPYOVSNAIE-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.03
Rot. Bonds6

About 3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine

3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 105259272) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID105259272
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine
SMILESCN(C)CCC(Cc1ccc(C(F)(F)F)cc1)NN
InChIInChI=1S/C13H20F3N3/c1-19(2)8-7-12(18-17)9-10-3-5-11(6-4-10)13(14,15)16/h3-6,12,18H,7-9,17H2,1-2H3
InChIKeyKLVYWPYOVSNAIE-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259266
[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine
CID 105207598
4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259401
[1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105195282
[4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
CID 102929755
3-(4-tert-butylphenyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244796
3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine
CID 105259182
[1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105248876
[5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine
CID 105211232
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
[1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 107066944
4-(2,6-dimethylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259278

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine (CID 105259272) is 3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine is CN(C)CCC(Cc1ccc(C(F)(F)F)cc1)NN.
What is the InChIKey of 3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is KLVYWPYOVSNAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-19(2)8-7-12(18-17)9-10-3-5-11(6-4-10)13(14,15)16/h3-6,12,18H,7-9,17H2,1-2H3.
What are the key properties of 3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine?
3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 275.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 105259272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).