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

C15H23NO2 — CID 143182454

IUPAC6,7-dimethoxy-2-propyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine
SMILESCCCN1CCC2=C(CC=C(OC)C(OC)=C2)C1
InChIInChI=1S/C15H23NO2/c1-4-8-16-9-7-12-10-15(18-3)14(17-2)6-5-13(12)11-16/h6,10H,4-5,7-9,11H2,1-3H3
InChIKeyIYNOAGLJAHQAAA-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.86
Rot. Bonds4

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

6,7-dimethoxy-2-propyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine (PubChem CID 143182454) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 6,7-dimethoxy-2-propyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine.

Molecular Properties

Compound Name6,7-dimethoxy-2-propyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine
PubChem CID143182454
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name6,7-dimethoxy-2-propyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine
SMILESCCCN1CCC2=C(CC=C(OC)C(OC)=C2)C1
InChIInChI=1S/C15H23NO2/c1-4-8-16-9-7-12-10-15(18-3)14(17-2)6-5-13(12)11-16/h6,10H,4-5,7-9,11H2,1-3H3
InChIKeyIYNOAGLJAHQAAA-UHFFFAOYSA-N
XLogP2.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-propyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine?
The IUPAC name of 6,7-dimethoxy-2-propyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine (CID 143182454) is 6,7-dimethoxy-2-propyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine.
What is the SMILES notation for 6,7-dimethoxy-2-propyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine?
The canonical SMILES for 6,7-dimethoxy-2-propyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine is CCCN1CCC2=C(CC=C(OC)C(OC)=C2)C1.
What is the InChIKey of 6,7-dimethoxy-2-propyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine?
The InChIKey is IYNOAGLJAHQAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-8-16-9-7-12-10-15(18-3)14(17-2)6-5-13(12)11-16/h6,10H,4-5,7-9,11H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-propyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine?
6,7-dimethoxy-2-propyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine has a molecular weight of 249.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-propyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine is sourced from PubChem (CID 143182454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).