3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine

C10H13F3N2 — CID 170008151

IUPAC3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine
SMILESCC1=C(N)C2=C(CCC2)NC1C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-5-8(14)6-3-2-4-7(6)15-9(5)10(11,12)13/h9,15H,2-4,14H2,1H3
InChIKeyNJNBPGRUESDGPT-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.19
Rot. Bonds

About 3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine

3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine (PubChem CID 170008151) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine
PubChem CID170008151
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine
SMILESCC1=C(N)C2=C(CCC2)NC1C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-5-8(14)6-3-2-4-7(6)15-9(5)10(11,12)13/h9,15H,2-4,14H2,1H3
InChIKeyNJNBPGRUESDGPT-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine?
The IUPAC name of 3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine (CID 170008151) is 3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine is CC1=C(N)C2=C(CCC2)NC1C(F)(F)F.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine?
The InChIKey is NJNBPGRUESDGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-5-8(14)6-3-2-4-7(6)15-9(5)10(11,12)13/h9,15H,2-4,14H2,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine?
3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine has a molecular weight of 218.22 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridin-4-amine is sourced from PubChem (CID 170008151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).