(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane

C16H24N2 — CID 175699562

IUPAC(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane
SMILESCC(C)(C)c1cccc([C@@H]2CCC3(CNC3)C2)n1
InChIInChI=1S/C16H24N2/c1-15(2,3)14-6-4-5-13(18-14)12-7-8-16(9-12)10-17-11-16/h4-6,12,17H,7-11H2,1-3H3/t12-/m1/s1
InChIKeyCFWZHZZVRVXUOE-GFCCVEGCSA-N
MW244.38 g/mol
LogP3.24
Rot. Bonds1

About (6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane

(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane (PubChem CID 175699562) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane
PubChem CID175699562
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane
SMILESCC(C)(C)c1cccc([C@@H]2CCC3(CNC3)C2)n1
InChIInChI=1S/C16H24N2/c1-15(2,3)14-6-4-5-13(18-14)12-7-8-16(9-12)10-17-11-16/h4-6,12,17H,7-11H2,1-3H3/t12-/m1/s1
InChIKeyCFWZHZZVRVXUOE-GFCCVEGCSA-N
XLogP3.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane?
The IUPAC name of (6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane (CID 175699562) is (6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane.
What is the SMILES notation for (6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane?
The canonical SMILES for (6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane is CC(C)(C)c1cccc([C@@H]2CCC3(CNC3)C2)n1.
What is the InChIKey of (6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane?
The InChIKey is CFWZHZZVRVXUOE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2/c1-15(2,3)14-6-4-5-13(18-14)12-7-8-16(9-12)10-17-11-16/h4-6,12,17H,7-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane?
(6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane has a molecular weight of 244.38 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(6-tert-butyl-2-pyridinyl)-2-azaspiro[3.4]octane is sourced from PubChem (CID 175699562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).