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

C13H18F3N3 — CID 106747815

IUPAC4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC1CCC(Nc2cc(C(F)(F)F)ncc2N)C1C
InChIInChI=1S/C13H18F3N3/c1-7-3-4-10(8(7)2)19-11-5-12(13(14,15)16)18-6-9(11)17/h5-8,10H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyMNIBLLZRQCZRQL-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.53
Rot. Bonds2

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

4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747815) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747815
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCC1CCC(Nc2cc(C(F)(F)F)ncc2N)C1C
InChIInChI=1S/C13H18F3N3/c1-7-3-4-10(8(7)2)19-11-5-12(13(14,15)16)18-6-9(11)17/h5-8,10H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyMNIBLLZRQCZRQL-UHFFFAOYSA-N
XLogP3.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747815) is 4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyridine-3,4-diamine is CC1CCC(Nc2cc(C(F)(F)F)ncc2N)C1C.
What is the InChIKey of 4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is MNIBLLZRQCZRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-7-3-4-10(8(7)2)19-11-5-12(13(14,15)16)18-6-9(11)17/h5-8,10H,3-4,17H2,1-2H3,(H,18,19).
What are the key properties of 4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 273.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).