2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine

C14H20F3N3 — CID 156569364

IUPAC2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine
SMILESC=C(NCC(C)(C)C)c1nc(C)c(C(F)(F)F)cc1N
InChIInChI=1S/C14H20F3N3/c1-8-10(14(15,16)17)6-11(18)12(20-8)9(2)19-7-13(3,4)5/h6,19H,2,7,18H2,1,3-5H3
InChIKeyNMAQILRLWYQRJV-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.60
Rot. Bonds3

About 2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine

2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 156569364) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine
PubChem CID156569364
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine
SMILESC=C(NCC(C)(C)C)c1nc(C)c(C(F)(F)F)cc1N
InChIInChI=1S/C14H20F3N3/c1-8-10(14(15,16)17)6-11(18)12(20-8)9(2)19-7-13(3,4)5/h6,19H,2,7,18H2,1,3-5H3
InChIKeyNMAQILRLWYQRJV-UHFFFAOYSA-N
XLogP3.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine (CID 156569364) is 2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine is C=C(NCC(C)(C)C)c1nc(C)c(C(F)(F)F)cc1N.
What is the InChIKey of 2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is NMAQILRLWYQRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-8-10(14(15,16)17)6-11(18)12(20-8)9(2)19-7-13(3,4)5/h6,19H,2,7,18H2,1,3-5H3.
What are the key properties of 2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine?
2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 287.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropylamino)ethenyl]-6-methyl-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 156569364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).