6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane

C23H44N4 — CID 143582964

IUPAC6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
SMILESCN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCC2CCNC2C1
InChIInChI=1S/C8H16N2.C8H15N.C7H13N/c1-10-5-3-7-2-4-9-8(7)6-10;1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6/h7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3
InChIKeyYIFKVDKXAXUYNH-UHFFFAOYSA-N
MW376.63 g/mol
LogP3.03
Rot. Bonds

About 6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane

6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane (PubChem CID 143582964) has the molecular formula C23H44N4 and a molecular weight of 376.63 g/mol. Its IUPAC name is 6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
PubChem CID143582964
Molecular FormulaC23H44N4
Molecular Weight376.63 g/mol
Exact Mass376.36
IUPAC Name6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
SMILESCN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCC2CCNC2C1
InChIInChI=1S/C8H16N2.C8H15N.C7H13N/c1-10-5-3-7-2-4-9-8(7)6-10;1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6/h7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3
InChIKeyYIFKVDKXAXUYNH-UHFFFAOYSA-N
XLogP3.03
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane with MolForge

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine
CID 69173071
6-[[7-[(2-Methyl-2-azabicyclo[2.2.2]octan-5-yl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 154546529
1,7-Dimethyl-1,4-diazonane;4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 158308854
1,4-Dimethylazonane;4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 158339532
1-Methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 158962903
2-Azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;ethane
CID 159110091
4-Methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-methyl-3-azabicyclo[4.3.1]decane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 159328405
Methane;1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 159711845
2-Methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 159789229
4-Methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 159933527
Methane;4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 160043439
4-Methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;1,4,4-trimethylazonane
CID 160434939

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?
The IUPAC name of 6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane (CID 143582964) is 6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane is CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCC2CCNC2C1.
What is the InChIKey of 6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?
The InChIKey is YIFKVDKXAXUYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C8H15N.C7H13N/c1-10-5-3-7-2-4-9-8(7)6-10;1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6/h7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3.
What are the key properties of 6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?
6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane has a molecular weight of 376.63 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 143582964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).