3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine

C14H19N — CID 129295409

IUPAC3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine
SMILESCC1(C)C=CC=C2N=CC(C)(C)CC2=C1
InChIInChI=1S/C14H19N/c1-13(2)7-5-6-12-11(8-13)9-14(3,4)10-15-12/h5-8,10H,9H2,1-4H3
InChIKeyIVWFBEPALJMSEB-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.89
Rot. Bonds

About 3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine

3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine (PubChem CID 129295409) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine
PubChem CID129295409
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine
SMILESCC1(C)C=CC=C2N=CC(C)(C)CC2=C1
InChIInChI=1S/C14H19N/c1-13(2)7-5-6-12-11(8-13)9-14(3,4)10-15-12/h5-8,10H,9H2,1-4H3
InChIKeyIVWFBEPALJMSEB-UHFFFAOYSA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine?
The IUPAC name of 3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine (CID 129295409) is 3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine.
What is the SMILES notation for 3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine?
The canonical SMILES for 3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine is CC1(C)C=CC=C2N=CC(C)(C)CC2=C1.
What is the InChIKey of 3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine?
The InChIKey is IVWFBEPALJMSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-13(2)7-5-6-12-11(8-13)9-14(3,4)10-15-12/h5-8,10H,9H2,1-4H3.
What are the key properties of 3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine?
3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine has a molecular weight of 201.31 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-4H-cyclohepta[b]pyridine is sourced from PubChem (CID 129295409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).