6,6,9,9-tetramethylcycloocta[b]pyridine

C15H19N — CID 123458216

IUPAC6,6,9,9-tetramethylcycloocta[b]pyridine
SMILESCC1(C)C=CC(C)(C)C=c2ncccc2=C1
InChIInChI=1S/C15H19N/c1-14(2)7-8-15(3,4)11-13-12(10-14)6-5-9-16-13/h5-11H,1-4H3
InChIKeyILDUCXZTAVPNOM-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.26
Rot. Bonds

About 6,6,9,9-tetramethylcycloocta[b]pyridine

6,6,9,9-tetramethylcycloocta[b]pyridine (PubChem CID 123458216) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 6,6,9,9-tetramethylcycloocta[b]pyridine.

Molecular Properties

Compound Name6,6,9,9-tetramethylcycloocta[b]pyridine
PubChem CID123458216
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name6,6,9,9-tetramethylcycloocta[b]pyridine
SMILESCC1(C)C=CC(C)(C)C=c2ncccc2=C1
InChIInChI=1S/C15H19N/c1-14(2)7-8-15(3,4)11-13-12(10-14)6-5-9-16-13/h5-11H,1-4H3
InChIKeyILDUCXZTAVPNOM-UHFFFAOYSA-N
XLogP2.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6,9,9-tetramethylcycloocta[b]pyridine?
The IUPAC name of 6,6,9,9-tetramethylcycloocta[b]pyridine (CID 123458216) is 6,6,9,9-tetramethylcycloocta[b]pyridine.
What is the SMILES notation for 6,6,9,9-tetramethylcycloocta[b]pyridine?
The canonical SMILES for 6,6,9,9-tetramethylcycloocta[b]pyridine is CC1(C)C=CC(C)(C)C=c2ncccc2=C1.
What is the InChIKey of 6,6,9,9-tetramethylcycloocta[b]pyridine?
The InChIKey is ILDUCXZTAVPNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-14(2)7-8-15(3,4)11-13-12(10-14)6-5-9-16-13/h5-11H,1-4H3.
What are the key properties of 6,6,9,9-tetramethylcycloocta[b]pyridine?
6,6,9,9-tetramethylcycloocta[b]pyridine has a molecular weight of 213.32 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,9,9-tetramethylcycloocta[b]pyridine is sourced from PubChem (CID 123458216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).