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

C9H14N2 — CID 166805466

IUPAC2-methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine
SMILESCC1=CCC2CCCN=C2N1
InChIInChI=1S/C9H14N2/c1-7-4-5-8-3-2-6-10-9(8)11-7/h4,8H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyUBHYZXWLHYQAKY-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.69
Rot. Bonds

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

2-methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine (PubChem CID 166805466) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine.

Molecular Properties

Compound Name2-methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine
PubChem CID166805466
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine
SMILESCC1=CCC2CCCN=C2N1
InChIInChI=1S/C9H14N2/c1-7-4-5-8-3-2-6-10-9(8)11-7/h4,8H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyUBHYZXWLHYQAKY-UHFFFAOYSA-N
XLogP1.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine?
The IUPAC name of 2-methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine (CID 166805466) is 2-methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine.
What is the SMILES notation for 2-methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine?
The canonical SMILES for 2-methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine is CC1=CCC2CCCN=C2N1.
What is the InChIKey of 2-methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine?
The InChIKey is UBHYZXWLHYQAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-5-8-3-2-6-10-9(8)11-7/h4,8H,2-3,5-6H2,1H3,(H,10,11).
What are the key properties of 2-methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine?
2-methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine has a molecular weight of 150.22 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine is sourced from PubChem (CID 166805466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).