N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine

C14H19F3N2 — CID 79870374

IUPACN-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)CCCCC1Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H19F3N2/c1-13(2)8-4-3-5-11(13)19-12-7-6-10(9-18-12)14(15,16)17/h6-7,9,11H,3-5,8H2,1-2H3,(H,18,19)
InChIKeySTFBKICBJAXIRL-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.48
Rot. Bonds2

About N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine

N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 79870374) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID79870374
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)CCCCC1Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H19F3N2/c1-13(2)8-4-3-5-11(13)19-12-7-6-10(9-18-12)14(15,16)17/h6-7,9,11H,3-5,8H2,1-2H3,(H,18,19)
InChIKeySTFBKICBJAXIRL-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylcyclohexyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107303637
2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562759
2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid
CID 79870871
N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107303636
N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 47981886
3-bromo-N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 79835004
N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97030726
N-(4-ethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 63540704
N-(3,4-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 64742884
N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86276661
2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid
CID 79878433
N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 103804882

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine (CID 79870374) is N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine is CC1(C)CCCCC1Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is STFBKICBJAXIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-13(2)8-4-3-5-11(13)19-12-7-6-10(9-18-12)14(15,16)17/h6-7,9,11H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 272.31 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 79870374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).