6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane

C15H25NO2 — CID 142226963

IUPAC6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane
SMILESCC.COC1=CCC2=C(C=C1OC)CCN(C)C2
InChIInChI=1S/C13H19NO2.C2H6/c1-14-7-6-10-8-13(16-3)12(15-2)5-4-11(10)9-14;1-2/h5,8H,4,6-7,9H2,1-3H3;1-2H3
InChIKeyACJUPEZSCHXSCN-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.11
Rot. Bonds2

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

6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane (PubChem CID 142226963) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane
PubChem CID142226963
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane
SMILESCC.COC1=CCC2=C(C=C1OC)CCN(C)C2
InChIInChI=1S/C13H19NO2.C2H6/c1-14-7-6-10-8-13(16-3)12(15-2)5-4-11(10)9-14;1-2/h5,8H,4,6-7,9H2,1-3H3;1-2H3
InChIKeyACJUPEZSCHXSCN-UHFFFAOYSA-N
XLogP3.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.11
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-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane?
The IUPAC name of 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane (CID 142226963) is 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane?
The canonical SMILES for 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane is CC.COC1=CCC2=C(C=C1OC)CCN(C)C2.
What is the InChIKey of 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane?
The InChIKey is ACJUPEZSCHXSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.C2H6/c1-14-7-6-10-8-13(16-3)12(15-2)5-4-11(10)9-14;1-2/h5,8H,4,6-7,9H2,1-3H3;1-2H3.
What are the key properties of 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane?
6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane has a molecular weight of 251.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-1,3,4,9-tetrahydrocyclohepta[c]pyridine;ethane is sourced from PubChem (CID 142226963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).