2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine

C26H34N2O — CID 137448457

IUPAC2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3C(C)(C)CC4(CCCCC4)C3(C)C)c(C)ccc12
InChIInChI=1S/C26H34N2O/c1-17-10-12-19-20-13-11-18(2)27-23(20)29-22(19)21(17)28-24(3,4)16-26(25(28,5)6)14-8-7-9-15-26/h10-13H,7-9,14-16H2,1-6H3
InChIKeyISDIVGUWUUKXDH-UHFFFAOYSA-N
MW390.57 g/mol
LogP7.32
Rot. Bonds1

About 2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine

2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 137448457) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is 2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID137448457
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3C(C)(C)CC4(CCCCC4)C3(C)C)c(C)ccc12
InChIInChI=1S/C26H34N2O/c1-17-10-12-19-20-13-11-18(2)27-23(20)29-22(19)21(17)28-24(3,4)16-26(25(28,5)6)14-8-7-9-15-26/h10-13H,7-9,14-16H2,1-6H3
InChIKeyISDIVGUWUUKXDH-UHFFFAOYSA-N
XLogP7.32
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 137448457) is 2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(N3C(C)(C)CC4(CCCCC4)C3(C)C)c(C)ccc12.
What is the InChIKey of 2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is ISDIVGUWUUKXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c1-17-10-12-19-20-13-11-18(2)27-23(20)29-22(19)21(17)28-24(3,4)16-26(25(28,5)6)14-8-7-9-15-26/h10-13H,7-9,14-16H2,1-6H3.
What are the key properties of 2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine?
2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 390.57 g/mol, XLogP of 7.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 137448457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).