6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine

C15H20F3N3S — CID 167957150

IUPAC6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
SMILESCC1CCC2CN=C(NC(C)c3ccc(C(F)(F)F)s3)N2C1
InChIInChI=1S/C15H20F3N3S/c1-9-3-4-11-7-19-14(21(11)8-9)20-10(2)12-5-6-13(22-12)15(16,17)18/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeySWVGXHUVFITTPR-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.89
Rot. Bonds2

About 6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine

6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine (PubChem CID 167957150) has the molecular formula C15H20F3N3S and a molecular weight of 331.41 g/mol. Its IUPAC name is 6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
PubChem CID167957150
Molecular FormulaC15H20F3N3S
Molecular Weight331.41 g/mol
Exact Mass331.13
IUPAC Name6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
SMILESCC1CCC2CN=C(NC(C)c3ccc(C(F)(F)F)s3)N2C1
InChIInChI=1S/C15H20F3N3S/c1-9-3-4-11-7-19-14(21(11)8-9)20-10(2)12-5-6-13(22-12)15(16,17)18/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeySWVGXHUVFITTPR-UHFFFAOYSA-N
XLogP3.89
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
The IUPAC name of 6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine (CID 167957150) is 6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine.
What is the SMILES notation for 6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
The canonical SMILES for 6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine is CC1CCC2CN=C(NC(C)c3ccc(C(F)(F)F)s3)N2C1.
What is the InChIKey of 6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
The InChIKey is SWVGXHUVFITTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3S/c1-9-3-4-11-7-19-14(21(11)8-9)20-10(2)12-5-6-13(22-12)15(16,17)18/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,20).
What are the key properties of 6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine has a molecular weight of 331.41 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 167957150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).