N,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

C12H15F3N2 — CID 146617722

IUPACN,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESCNc1c(C)c(C(F)(F)F)nc2c1CC(C)C2
InChIInChI=1S/C12H15F3N2/c1-6-4-8-9(5-6)17-11(12(13,14)15)7(2)10(8)16-3/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyHHTWBVXQDFKIAV-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.19
Rot. Bonds1

About N,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

N,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (PubChem CID 146617722) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is N,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.

Molecular Properties

Compound NameN,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
PubChem CID146617722
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESCNc1c(C)c(C(F)(F)F)nc2c1CC(C)C2
InChIInChI=1S/C12H15F3N2/c1-6-4-8-9(5-6)17-11(12(13,14)15)7(2)10(8)16-3/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyHHTWBVXQDFKIAV-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The IUPAC name of N,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (CID 146617722) is N,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.
What is the SMILES notation for N,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The canonical SMILES for N,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is CNc1c(C)c(C(F)(F)F)nc2c1CC(C)C2.
What is the InChIKey of N,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The InChIKey is HHTWBVXQDFKIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-6-4-8-9(5-6)17-11(12(13,14)15)7(2)10(8)16-3/h6H,4-5H2,1-3H3,(H,16,17).
What are the key properties of N,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
N,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine has a molecular weight of 244.26 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-trimethyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is sourced from PubChem (CID 146617722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).