3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine

C15H24F3N3 — CID 105241879

IUPAC3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine
SMILESCCC(CC)(C(NN)c1ccc(C(F)(F)F)cc1)N(C)C
InChIInChI=1S/C15H24F3N3/c1-5-14(6-2,21(3)4)13(20-19)11-7-9-12(10-8-11)15(16,17)18/h7-10,13,20H,5-6,19H2,1-4H3
InChIKeyUQCPONGEKCDVDF-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.33
Rot. Bonds6

About 3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine

3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine (PubChem CID 105241879) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine.

Molecular Properties

Compound Name3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine
PubChem CID105241879
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine
SMILESCCC(CC)(C(NN)c1ccc(C(F)(F)F)cc1)N(C)C
InChIInChI=1S/C15H24F3N3/c1-5-14(6-2,21(3)4)13(20-19)11-7-9-12(10-8-11)15(16,17)18/h7-10,13,20H,5-6,19H2,1-4H3
InChIKeyUQCPONGEKCDVDF-UHFFFAOYSA-N
XLogP3.33
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.33
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

[2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine
CID 105275560
3-[hydrazinyl-(4-propoxyphenyl)methyl]-N,N-dimethylpentan-3-amine
CID 105241851
2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79062004
2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine
CID 79061588
3-[2-(dimethylamino)-2-ethyl-1-hydrazinylbutyl]pyridin-4-amine
CID 105241711
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
[2-propoxy-1-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105210159
N-ethyl-N',N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 79092627
N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine
CID 143698340
2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine
CID 79061366
[3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302324
[(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105288436

Frequently Asked Questions

What is the IUPAC name of 3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine?
The IUPAC name of 3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine (CID 105241879) is 3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine.
What is the SMILES notation for 3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine?
The canonical SMILES for 3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine is CCC(CC)(C(NN)c1ccc(C(F)(F)F)cc1)N(C)C.
What is the InChIKey of 3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine?
The InChIKey is UQCPONGEKCDVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-5-14(6-2,21(3)4)13(20-19)11-7-9-12(10-8-11)15(16,17)18/h7-10,13,20H,5-6,19H2,1-4H3.
What are the key properties of 3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine?
3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine has a molecular weight of 303.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydrazinyl-[4-(trifluoromethyl)phenyl]methyl]-N,N-dimethylpentan-3-amine is sourced from PubChem (CID 105241879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).