1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine

C15H26N2 — CID 20773197

IUPAC1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine
SMILESCC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)CC2
InChIInChI=1S/C15H26N2/c1-14(2,3)16-9-7-12-8-10-17(13(12)11-16)15(4,5)6/h7,9H,8,10-11H2,1-6H3
InChIKeyHECBPMHXCGINMY-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.37
Rot. Bonds

About 1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine

1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine (PubChem CID 20773197) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine
PubChem CID20773197
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine
SMILESCC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)CC2
InChIInChI=1S/C15H26N2/c1-14(2,3)16-9-7-12-8-10-17(13(12)11-16)15(4,5)6/h7,9H,8,10-11H2,1-6H3
InChIKeyHECBPMHXCGINMY-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine (CID 20773197) is 1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine is CC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)CC2.
What is the InChIKey of 1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine?
The InChIKey is HECBPMHXCGINMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-14(2,3)16-9-7-12-8-10-17(13(12)11-16)15(4,5)6/h7,9H,8,10-11H2,1-6H3.
What are the key properties of 1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine?
1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine has a molecular weight of 234.39 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-ditert-butyl-3,7-dihydro-2H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 20773197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).