5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine

C17H22N2S — CID 107874546

IUPAC5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine
SMILESCC(C)(C)c1ccc(NCc2cc3c(s2)CCC3)nc1
InChIInChI=1S/C17H22N2S/c1-17(2,3)13-7-8-16(18-10-13)19-11-14-9-12-5-4-6-15(12)20-14/h7-10H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyBPEMVVAAQPRDBX-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.54
Rot. Bonds3

About 5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine

5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 107874546) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID107874546
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine
SMILESCC(C)(C)c1ccc(NCc2cc3c(s2)CCC3)nc1
InChIInChI=1S/C17H22N2S/c1-17(2,3)13-7-8-16(18-10-13)19-11-14-9-12-5-4-6-15(12)20-14/h7-10H,4-6,11H2,1-3H3,(H,18,19)
InChIKeyBPEMVVAAQPRDBX-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine (CID 107874546) is 5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine is CC(C)(C)c1ccc(NCc2cc3c(s2)CCC3)nc1.
What is the InChIKey of 5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is BPEMVVAAQPRDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-17(2,3)13-7-8-16(18-10-13)19-11-14-9-12-5-4-6-15(12)20-14/h7-10H,4-6,11H2,1-3H3,(H,18,19).
What are the key properties of 5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine?
5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 286.44 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 107874546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).