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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Related Compounds

3-amino-6-bromo-N-(3,3,3-trifluoro-2-methoxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 58442364
3-fluoro-6-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 166534161
2,3-dimethyl-6-prop-1-en-2-yl-5-(trifluoromethyl)pyridine
CID 146866757
3-amino-N-(2-amino-3,3,3-trifluoro-2-methylpropyl)-6-ethoxy-5-(trifluoromethyl)pyridine-2-carboxamide
CID 175748213
3-amino-6-bromo-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 53472279
3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 78089503
ethyl 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134684036
methyl 3-[[3-amino-6-bromo-5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 58442333
3-amino-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154014203
3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 89448319
ethyl 2-[4-amino-2,5-bis(trifluoromethyl)phenyl]acetate
CID 134633207
2,5-bis(trifluoromethyl)benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diamine
CID 162540560

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).