5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine

C13H17F3N2 — CID 106215052

IUPAC5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
SMILESCC(C)(C)c1ccc(NC2(C(F)(F)F)CC2)nc1
InChIInChI=1S/C13H17F3N2/c1-11(2,3)9-4-5-10(17-8-9)18-12(6-7-12)13(14,15)16/h4-5,8H,6-7H2,1-3H3,(H,17,18)
InChIKeyDOIOUDOFKYXVAF-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.89
Rot. Bonds2

About 5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine

5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine (PubChem CID 106215052) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
PubChem CID106215052
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
SMILESCC(C)(C)c1ccc(NC2(C(F)(F)F)CC2)nc1
InChIInChI=1S/C13H17F3N2/c1-11(2,3)9-4-5-10(17-8-9)18-12(6-7-12)13(14,15)16/h4-5,8H,6-7H2,1-3H3,(H,17,18)
InChIKeyDOIOUDOFKYXVAF-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine (CID 106215052) is 5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine is CC(C)(C)c1ccc(NC2(C(F)(F)F)CC2)nc1.
What is the InChIKey of 5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
The InChIKey is DOIOUDOFKYXVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-11(2,3)9-4-5-10(17-8-9)18-12(6-7-12)13(14,15)16/h4-5,8H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine has a molecular weight of 258.29 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine is sourced from PubChem (CID 106215052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).