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

C9H16N2 — CID 141081524

IUPAC2-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine
SMILESCC1CCC2CCCN=C2N1
InChIInChI=1S/C9H16N2/c1-7-4-5-8-3-2-6-10-9(8)11-7/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyIPKOGXOWLLMQLC-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.57
Rot. Bonds

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

2-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine (PubChem CID 141081524) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine.

Molecular Properties

Compound Name2-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine
PubChem CID141081524
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine
SMILESCC1CCC2CCCN=C2N1
InChIInChI=1S/C9H16N2/c1-7-4-5-8-3-2-6-10-9(8)11-7/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyIPKOGXOWLLMQLC-UHFFFAOYSA-N
XLogP1.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine?
The IUPAC name of 2-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine (CID 141081524) is 2-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine.
What is the SMILES notation for 2-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine?
The canonical SMILES for 2-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine is CC1CCC2CCCN=C2N1.
What is the InChIKey of 2-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine?
The InChIKey is IPKOGXOWLLMQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-4-5-8-3-2-6-10-9(8)11-7/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine?
2-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine has a molecular weight of 152.24 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridine is sourced from PubChem (CID 141081524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).