2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C14H20F3N3 — CID 102718695

IUPAC2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(NC2(C)CCCC2)n1
InChIInChI=1S/C14H20F3N3/c1-3-18-11-8-10(14(15,16)17)9-12(19-11)20-13(2)6-4-5-7-13/h8-9H,3-7H2,1-2H3,(H2,18,19,20)
InChIKeyUASKHAOBSOVQKB-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.28
Rot. Bonds4

About 2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine

2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718695) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718695
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(NC2(C)CCCC2)n1
InChIInChI=1S/C14H20F3N3/c1-3-18-11-8-10(14(15,16)17)9-12(19-11)20-13(2)6-4-5-7-13/h8-9H,3-7H2,1-2H3,(H2,18,19,20)
InChIKeyUASKHAOBSOVQKB-UHFFFAOYSA-N
XLogP4.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
6-[3-(Dimethylamino)propyl]-4-methylpyridin-2-amine
CID 158447563
(4-Dimethylamino-benzyl)-(6-methyl-pyridin-2-yl)-amine
CID 975714
4-Methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine
CID 162463139
4-Methyl-6-[3-(methylamino)propyl]pyridin-2-amine
CID 162463142
6-[3-(3,3-Difluoroazetidin-1-yl)propyl]-4-methylpyridin-2-amine
CID 164513485
6-[3-(3,3-Difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine
CID 164513486
6-[3-(4,4-Difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine
CID 164513490
6-[4-(Dimethylamino)but-1-yn-1-yl]-4-methylpyridin-2-amine
CID 164513505
6-[4-(Dimethylamino)butyl]-4-methylpyridin-2-amine
CID 164513506
N-(2-phenylethyl)-5-(trifluoromethyl)-2-pyridinamine
CID 2990515

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718695) is 2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine is CCNc1cc(C(F)(F)F)cc(NC2(C)CCCC2)n1.
What is the InChIKey of 2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is UASKHAOBSOVQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-3-18-11-8-10(14(15,16)17)9-12(19-11)20-13(2)6-4-5-7-13/h8-9H,3-7H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 287.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).