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

C9H18N2 — CID 82416461

IUPAC1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridine
SMILESCN1CCCC2CCNCC21
InChIInChI=1S/C9H18N2/c1-11-6-2-3-8-4-5-10-7-9(8)11/h8-10H,2-7H2,1H3
InChIKeyYZQLPYYBDJRSHV-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds

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

1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridine (PubChem CID 82416461) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridine.

Molecular Properties

Compound Name1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridine
PubChem CID82416461
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridine
SMILESCN1CCCC2CCNCC21
InChIInChI=1S/C9H18N2/c1-11-6-2-3-8-4-5-10-7-9(8)11/h8-10H,2-7H2,1H3
InChIKeyYZQLPYYBDJRSHV-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridine?
The IUPAC name of 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridine (CID 82416461) is 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridine.
What is the SMILES notation for 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridine?
The canonical SMILES for 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridine is CN1CCCC2CCNCC21.
What is the InChIKey of 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridine?
The InChIKey is YZQLPYYBDJRSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-11-6-2-3-8-4-5-10-7-9(8)11/h8-10H,2-7H2,1H3.
What are the key properties of 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridine?
1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-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 1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridine is sourced from PubChem (CID 82416461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).