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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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).