4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine

C13H18F3N3 — CID 106747365

IUPAC4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1NCCC1CCCC1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)12-7-11(10(17)8-19-12)18-6-5-9-3-1-2-4-9/h7-9H,1-6,17H2,(H,18,19)
InChIKeyJYUDCAWIPXRKJF-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.67
Rot. Bonds4

About 4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747365) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747365
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1NCCC1CCCC1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)12-7-11(10(17)8-19-12)18-6-5-9-3-1-2-4-9/h7-9H,1-6,17H2,(H,18,19)
InChIKeyJYUDCAWIPXRKJF-UHFFFAOYSA-N
XLogP3.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclobutylethyl)-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106749604
4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 104866691
2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol
CID 106308969
4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 114107351
4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine
CID 106748815
4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106393855
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747673
4-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106290011
N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide
CID 106333885
4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565829
4-N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106182590
4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106748029

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747365) is 4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine is Nc1cnc(C(F)(F)F)cc1NCCC1CCCC1.
What is the InChIKey of 4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is JYUDCAWIPXRKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c14-13(15,16)12-7-11(10(17)8-19-12)18-6-5-9-3-1-2-4-9/h7-9H,1-6,17H2,(H,18,19).
What are the key properties of 4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 273.30 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).