N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine

C13H17F3N2 — CID 90965106

IUPACN-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine
SMILESFC(F)(F)c1cncc(NCC2CCCCC2)c1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)11-6-12(9-17-8-11)18-7-10-4-2-1-3-5-10/h6,8-10,18H,1-5,7H2
InChIKeyMERZBGVNRJTJPA-UHFFFAOYSA-N
MW258.29 g/mol
LogP4.09
Rot. Bonds3

About N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine

N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 90965106) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine
PubChem CID90965106
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine
SMILESFC(F)(F)c1cncc(NCC2CCCCC2)c1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)11-6-12(9-17-8-11)18-7-10-4-2-1-3-5-10/h6,8-10,18H,1-5,7H2
InChIKeyMERZBGVNRJTJPA-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine (CID 90965106) is N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine is FC(F)(F)c1cncc(NCC2CCCCC2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is MERZBGVNRJTJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c14-13(15,16)11-6-12(9-17-8-11)18-7-10-4-2-1-3-5-10/h6,8-10,18H,1-5,7H2.
What are the key properties of N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine?
N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 258.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 90965106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).