2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine

C16H25N — CID 90295532

IUPAC2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCC(C)(C)c1ccc2c(n1)CCC2C(C)(C)C
InChIInChI=1S/C16H25N/c1-15(2,3)12-8-9-13-11(12)7-10-14(17-13)16(4,5)6/h7,10,12H,8-9H2,1-6H3
InChIKeyGUKAAGXXYFYGJV-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.45
Rot. Bonds

About 2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine

2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 90295532) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID90295532
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCC(C)(C)c1ccc2c(n1)CCC2C(C)(C)C
InChIInChI=1S/C16H25N/c1-15(2,3)12-8-9-13-11(12)7-10-14(17-13)16(4,5)6/h7,10,12H,8-9H2,1-6H3
InChIKeyGUKAAGXXYFYGJV-UHFFFAOYSA-N
XLogP4.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 90295532) is 2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine is CC(C)(C)c1ccc2c(n1)CCC2C(C)(C)C.
What is the InChIKey of 2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is GUKAAGXXYFYGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-15(2,3)12-8-9-13-11(12)7-10-14(17-13)16(4,5)6/h7,10,12H,8-9H2,1-6H3.
What are the key properties of 2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine?
2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 231.38 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 90295532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).