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

C32H64N6 — CID 158308854

IUPAC1,7-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
SMILESCC1CCNCCN(C)CC1.CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCCC2NCCC21
InChIInChI=1S/C9H20N2.C8H16N2.C8H15N.C7H13N/c1-9-3-5-10-6-8-11(2)7-4-9;1-10-6-2-3-7-8(10)4-5-9-7;1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6/h9-10H,3-8H2,1-2H3;7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3
InChIKeyGNKUIQMNERYIQD-UHFFFAOYSA-N
MW532.91 g/mol
LogP4.11
Rot. Bonds

About 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

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 (PubChem CID 158308854) has the molecular formula C32H64N6 and a molecular weight of 532.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,7-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
PubChem CID158308854
Molecular FormulaC32H64N6
Molecular Weight532.91 g/mol
Exact Mass532.52
IUPAC Name1,7-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
SMILESCC1CCNCCN(C)CC1.CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCCC2NCCC21
InChIInChI=1S/C9H20N2.C8H16N2.C8H15N.C7H13N/c1-9-3-5-10-6-8-11(2)7-4-9;1-10-6-2-3-7-8(10)4-5-9-7;1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6/h9-10H,3-8H2,1-2H3;7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3
InChIKeyGNKUIQMNERYIQD-UHFFFAOYSA-N
XLogP4.11
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.91
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

1,7-dimethyl-1,4-diazonane
CID 59686503
4-methyl-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 83479742
ethane;1-methylpiperazine;4-methylpiperidine
CID 145158402
ethane;1-methylpiperazine;4-methylpiperidine
CID 166533562
(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine
CID 54339853
2-(1-methylpyrrolidin-2-yl)piperidine
CID 14810995
2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 158361324
2-methyl-2,8-diazabicyclo[5.5.0]dodecane
CID 130417846
bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;bis(1-methylpiperidine);4-methylpiperidine
CID 159931852
1,4-dimethylpiperidine;ethane;methanethiol;3-methylpyrrolidine
CID 143539499
(2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane
CID 124718938
2-(1-methylpyrrolidin-2-yl)piperazine
CID 174931045

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCNCCN(C)CC1.CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCCC2NCCC21.
What is the InChIKey of 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?
The InChIKey is GNKUIQMNERYIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C8H16N2.C8H15N.C7H13N/c1-9-3-5-10-6-8-11(2)7-4-9;1-10-6-2-3-7-8(10)4-5-9-7;1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6/h9-10H,3-8H2,1-2H3;7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 532.91 g/mol, XLogP of 4.11, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158308854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).