6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine

C13H18F3N3 — CID 102717416

IUPAC6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(N(C)C2CCCC2)n1
InChIInChI=1S/C13H18F3N3/c1-17-11-7-9(13(14,15)16)8-12(18-11)19(2)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,17,18)
InChIKeyYSHXVFCHQXTSJY-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.52
Rot. Bonds3

About 6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717416) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717416
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(N(C)C2CCCC2)n1
InChIInChI=1S/C13H18F3N3/c1-17-11-7-9(13(14,15)16)8-12(18-11)19(2)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,17,18)
InChIKeyYSHXVFCHQXTSJY-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,6-N-dimethyl-6-N-(oxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717637
6-N-(1-cyclopropylethyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717599
4-N-cyclopentyl-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80774637
4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
CID 80761777
6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718099
6-N-(2-cyclopentylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717681
2-N-cyclohexyl-2-N,6-N-dimethylpyrazine-2,6-diamine
CID 80762053
2-N-methyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718063
2-methyl-2-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 102719263
4-[methyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 102719371
6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717537
6-N-(2-fluorophenyl)-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718253

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717416) is 6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(N(C)C2CCCC2)n1.
What is the InChIKey of 6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is YSHXVFCHQXTSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-17-11-7-9(13(14,15)16)8-12(18-11)19(2)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 273.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-2-N,6-N-dimethyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).