2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine

C10H18N2 — CID 5246383

IUPAC2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine
SMILESCC1C=CC2CCC(C)NC2N1
InChIInChI=1S/C10H18N2/c1-7-3-5-9-6-4-8(2)12-10(9)11-7/h3,5,7-12H,4,6H2,1-2H3
InChIKeyFGEPDZATCWUJHC-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.25
Rot. Bonds

About 2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine

2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine (PubChem CID 5246383) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine.

Molecular Properties

Compound Name2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine
PubChem CID5246383
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine
SMILESCC1C=CC2CCC(C)NC2N1
InChIInChI=1S/C10H18N2/c1-7-3-5-9-6-4-8(2)12-10(9)11-7/h3,5,7-12H,4,6H2,1-2H3
InChIKeyFGEPDZATCWUJHC-UHFFFAOYSA-N
XLogP1.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine?
The IUPAC name of 2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine (CID 5246383) is 2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine.
What is the SMILES notation for 2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine?
The canonical SMILES for 2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine is CC1C=CC2CCC(C)NC2N1.
What is the InChIKey of 2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine?
The InChIKey is FGEPDZATCWUJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7-3-5-9-6-4-8(2)12-10(9)11-7/h3,5,7-12H,4,6H2,1-2H3.
What are the key properties of 2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine?
2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine has a molecular weight of 166.27 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1,8-naphthyridine is sourced from PubChem (CID 5246383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).