6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine

C14H21NO2 — CID 142926893

IUPAC6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine
SMILESCOC1=CC2=C(CNC(C)(C)C2)C(OC)=CC1
InChIInChI=1S/C14H21NO2/c1-14(2)8-10-7-11(16-3)5-6-13(17-4)12(10)9-15-14/h6-7,15H,5,8-9H2,1-4H3
InChIKeyRKLKTZYLAQOSFI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds2

About 6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine

6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine (PubChem CID 142926893) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine.

Molecular Properties

Compound Name6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine
PubChem CID142926893
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine
SMILESCOC1=CC2=C(CNC(C)(C)C2)C(OC)=CC1
InChIInChI=1S/C14H21NO2/c1-14(2)8-10-7-11(16-3)5-6-13(17-4)12(10)9-15-14/h6-7,15H,5,8-9H2,1-4H3
InChIKeyRKLKTZYLAQOSFI-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine?
The IUPAC name of 6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine (CID 142926893) is 6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine.
What is the SMILES notation for 6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine?
The canonical SMILES for 6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine is COC1=CC2=C(CNC(C)(C)C2)C(OC)=CC1.
What is the InChIKey of 6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine?
The InChIKey is RKLKTZYLAQOSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2)8-10-7-11(16-3)5-6-13(17-4)12(10)9-15-14/h6-7,15H,5,8-9H2,1-4H3.
What are the key properties of 6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine?
6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine has a molecular weight of 235.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethoxy-3,3-dimethyl-1,2,4,7-tetrahydrocyclohepta[c]pyridine is sourced from PubChem (CID 142926893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).