4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine

C11H20N2O — CID 123268843

IUPAC4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine
SMILESCCOC1=C2CNCCC2N(C)CC1
InChIInChI=1S/C11H20N2O/c1-3-14-11-5-7-13(2)10-4-6-12-8-9(10)11/h10,12H,3-8H2,1-2H3
InChIKeyCQVWJPBXHKQUSP-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.97
Rot. Bonds2

About 4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine

4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine (PubChem CID 123268843) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine.

Molecular Properties

Compound Name4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine
PubChem CID123268843
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine
SMILESCCOC1=C2CNCCC2N(C)CC1
InChIInChI=1S/C11H20N2O/c1-3-14-11-5-7-13(2)10-4-6-12-8-9(10)11/h10,12H,3-8H2,1-2H3
InChIKeyCQVWJPBXHKQUSP-UHFFFAOYSA-N
XLogP0.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine?
The IUPAC name of 4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine (CID 123268843) is 4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine.
What is the SMILES notation for 4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine?
The canonical SMILES for 4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine is CCOC1=C2CNCCC2N(C)CC1.
What is the InChIKey of 4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine?
The InChIKey is CQVWJPBXHKQUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-14-11-5-7-13(2)10-4-6-12-8-9(10)11/h10,12H,3-8H2,1-2H3.
What are the key properties of 4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine?
4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine has a molecular weight of 196.29 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-methyl-3,5,6,7,8,8a-hexahydro-2H-1,6-naphthyridine is sourced from PubChem (CID 123268843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).