N-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine

C13H18F3N3 — CID 82810949

IUPACN-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)N1CCC(Nc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C13H18F3N3/c1-9(2)19-6-5-11(8-19)18-10-3-4-12(17-7-10)13(14,15)16/h3-4,7,9,11,18H,5-6,8H2,1-2H3
InChIKeyWHNBMWKSKSSKNE-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.99
Rot. Bonds3

About N-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine

N-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 82810949) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID82810949
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCC(C)N1CCC(Nc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C13H18F3N3/c1-9(2)19-6-5-11(8-19)18-10-3-4-12(17-7-10)13(14,15)16/h3-4,7,9,11,18H,5-6,8H2,1-2H3
InChIKeyWHNBMWKSKSSKNE-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine (CID 82810949) is N-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine is CC(C)N1CCC(Nc2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of N-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is WHNBMWKSKSSKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-9(2)19-6-5-11(8-19)18-10-3-4-12(17-7-10)13(14,15)16/h3-4,7,9,11,18H,5-6,8H2,1-2H3.
What are the key properties of N-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine?
N-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 273.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 82810949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).