4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine

C16H32N4 — CID 164875170

IUPAC4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
SMILESCN1CCC2NCCC2C1.CN1CCCC2NCCC21
InChIInChI=1S/2C8H16N2/c1-10-5-3-8-7(6-10)2-4-9-8;1-10-6-2-3-7-8(10)4-5-9-7/h2*7-9H,2-6H2,1H3
InChIKeyAGDCHBZEZUQQFO-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.74
Rot. Bonds

About 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine

4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine (PubChem CID 164875170) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
PubChem CID164875170
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
SMILESCN1CCC2NCCC2C1.CN1CCCC2NCCC21
InChIInChI=1S/2C8H16N2/c1-10-5-3-8-7(6-10)2-4-9-8;1-10-6-2-3-7-8(10)4-5-9-7/h2*7-9H,2-6H2,1H3
InChIKeyAGDCHBZEZUQQFO-UHFFFAOYSA-N
XLogP0.74
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine (CID 164875170) is 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine is CN1CCC2NCCC2C1.CN1CCCC2NCCC21.
What is the InChIKey of 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
The InChIKey is AGDCHBZEZUQQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16N2/c1-10-5-3-8-7(6-10)2-4-9-8;1-10-6-2-3-7-8(10)4-5-9-7/h2*7-9H,2-6H2,1H3.
What are the key properties of 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine?
4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine has a molecular weight of 280.46 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 164875170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).