N-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine

C10H13F3N2 — CID 137418711

IUPACN-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine
SMILESC=C(NC)C1C=NC(C(F)(F)F)=CC1C
InChIInChI=1S/C10H13F3N2/c1-6-4-9(10(11,12)13)15-5-8(6)7(2)14-3/h4-6,8,14H,2H2,1,3H3
InChIKeyNOOAGXVYDCMHCG-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.50
Rot. Bonds2

About N-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine

N-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine (PubChem CID 137418711) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine
PubChem CID137418711
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC NameN-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine
SMILESC=C(NC)C1C=NC(C(F)(F)F)=CC1C
InChIInChI=1S/C10H13F3N2/c1-6-4-9(10(11,12)13)15-5-8(6)7(2)14-3/h4-6,8,14H,2H2,1,3H3
InChIKeyNOOAGXVYDCMHCG-UHFFFAOYSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine?
The IUPAC name of N-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine (CID 137418711) is N-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine.
What is the SMILES notation for N-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine?
The canonical SMILES for N-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine is C=C(NC)C1C=NC(C(F)(F)F)=CC1C.
What is the InChIKey of N-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine?
The InChIKey is NOOAGXVYDCMHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-6-4-9(10(11,12)13)15-5-8(6)7(2)14-3/h4-6,8,14H,2H2,1,3H3.
What are the key properties of N-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine?
N-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine has a molecular weight of 218.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]ethenamine is sourced from PubChem (CID 137418711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).