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

C9H18N2 — CID 15106928

IUPAC6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
SMILESCN1CCC2NCCCC2C1
InChIInChI=1S/C9H18N2/c1-11-6-4-9-8(7-11)3-2-5-10-9/h8-10H,2-7H2,1H3
InChIKeyBMRRCEKQTKZDPU-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds

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

6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine (PubChem CID 15106928) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine.

Molecular Properties

Compound Name6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
PubChem CID15106928
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
SMILESCN1CCC2NCCCC2C1
InChIInChI=1S/C9H18N2/c1-11-6-4-9-8(7-11)3-2-5-10-9/h8-10H,2-7H2,1H3
InChIKeyBMRRCEKQTKZDPU-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
The IUPAC name of 6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine (CID 15106928) is 6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine.
What is the SMILES notation for 6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
The canonical SMILES for 6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine is CN1CCC2NCCCC2C1.
What is the InChIKey of 6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
The InChIKey is BMRRCEKQTKZDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-11-6-4-9-8(7-11)3-2-5-10-9/h8-10H,2-7H2,1H3.
What are the key properties of 6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine has a molecular weight of 154.26 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine is sourced from PubChem (CID 15106928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).