N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine

C14H19F3N2 — CID 63536770

IUPACN-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCCC1CCCCC1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)12-7-4-9-18-13(12)19-10-8-11-5-2-1-3-6-11/h4,7,9,11H,1-3,5-6,8,10H2,(H,18,19)
InChIKeyNPRWNBQDGYPKKL-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.48
Rot. Bonds4

About N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine

N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 63536770) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID63536770
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCCC1CCCCC1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)12-7-4-9-18-13(12)19-10-8-11-5-2-1-3-6-11/h4,7,9,11H,1-3,5-6,8,10H2,(H,18,19)
InChIKeyNPRWNBQDGYPKKL-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 63536770) is N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccnc1NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NPRWNBQDGYPKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)12-7-4-9-18-13(12)19-10-8-11-5-2-1-3-6-11/h4,7,9,11H,1-3,5-6,8,10H2,(H,18,19).
What are the key properties of N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine?
N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 272.31 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 63536770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).