3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine

C10H20N2O — CID 142444179

IUPAC3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine
SMILESCOC1CC2CN(C)CCC2CN1
InChIInChI=1S/C10H20N2O/c1-12-4-3-8-6-11-10(13-2)5-9(8)7-12/h8-11H,3-7H2,1-2H3
InChIKeyQLHRGRRQZUOFHI-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.52
Rot. Bonds1

About 3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine

3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine (PubChem CID 142444179) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine.

Molecular Properties

Compound Name3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine
PubChem CID142444179
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine
SMILESCOC1CC2CN(C)CCC2CN1
InChIInChI=1S/C10H20N2O/c1-12-4-3-8-6-11-10(13-2)5-9(8)7-12/h8-11H,3-7H2,1-2H3
InChIKeyQLHRGRRQZUOFHI-UHFFFAOYSA-N
XLogP0.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine?
The IUPAC name of 3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine (CID 142444179) is 3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine.
What is the SMILES notation for 3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine?
The canonical SMILES for 3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine is COC1CC2CN(C)CCC2CN1.
What is the InChIKey of 3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine?
The InChIKey is QLHRGRRQZUOFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-12-4-3-8-6-11-10(13-2)5-9(8)7-12/h8-11H,3-7H2,1-2H3.
What are the key properties of 3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine?
3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine has a molecular weight of 184.28 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine is sourced from PubChem (CID 142444179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).