7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane

C15H22N2 — CID 170179138

IUPAC7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESCC(C)(C)c1ccc(N2C3CCC2CC3)nc1
InChIInChI=1S/C15H22N2/c1-15(2,3)11-4-9-14(16-10-11)17-12-5-6-13(17)8-7-12/h4,9-10,12-13H,5-8H2,1-3H3
InChIKeyDUSNYFSSFIWCID-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.51
Rot. Bonds1

About 7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane

7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 170179138) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
PubChem CID170179138
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESCC(C)(C)c1ccc(N2C3CCC2CC3)nc1
InChIInChI=1S/C15H22N2/c1-15(2,3)11-4-9-14(16-10-11)17-12-5-6-13(17)8-7-12/h4,9-10,12-13H,5-8H2,1-3H3
InChIKeyDUSNYFSSFIWCID-UHFFFAOYSA-N
XLogP3.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane (CID 170179138) is 7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane is CC(C)(C)c1ccc(N2C3CCC2CC3)nc1.
What is the InChIKey of 7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is DUSNYFSSFIWCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-15(2,3)11-4-9-14(16-10-11)17-12-5-6-13(17)8-7-12/h4,9-10,12-13H,5-8H2,1-3H3.
What are the key properties of 7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 230.36 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 170179138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).