6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine

C14H20F3N3 — CID 102718915

IUPAC6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(N2CCC(C)(C)C2)n1
InChIInChI=1S/C14H20F3N3/c1-4-18-11-7-10(14(15,16)17)8-12(19-11)20-6-5-13(2,3)9-20/h7-8H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyFPRVKEYLXFJUNB-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.77
Rot. Bonds3

About 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine

6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102718915) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102718915
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(N2CCC(C)(C)C2)n1
InChIInChI=1S/C14H20F3N3/c1-4-18-11-7-10(14(15,16)17)8-12(19-11)20-6-5-13(2,3)9-20/h7-8H,4-6,9H2,1-3H3,(H,18,19)
InChIKeyFPRVKEYLXFJUNB-UHFFFAOYSA-N
XLogP3.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine (CID 102718915) is 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(N2CCC(C)(C)C2)n1.
What is the InChIKey of 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FPRVKEYLXFJUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-4-18-11-7-10(14(15,16)17)8-12(19-11)20-6-5-13(2,3)9-20/h7-8H,4-6,9H2,1-3H3,(H,18,19).
What are the key properties of 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 287.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102718915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).