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

C33H65N5 — CID 158339532

IUPAC1,4-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
SMILESCC1CCCCCN(C)CC1.CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCCC2NCCC21
InChIInChI=1S/C10H21N.C8H16N2.C8H15N.C7H13N/c1-10-6-4-3-5-8-11(2)9-7-10;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/h10H,3-9H2,1-2H3;7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3
InChIKeyGQZJBDARNWHCGN-UHFFFAOYSA-N
MW531.92 g/mol
LogP5.69
Rot. Bonds

About 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

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 (PubChem CID 158339532) has the molecular formula C33H65N5 and a molecular weight of 531.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,4-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
PubChem CID158339532
Molecular FormulaC33H65N5
Molecular Weight531.92 g/mol
Exact Mass531.52
IUPAC Name1,4-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
SMILESCC1CCCCCN(C)CC1.CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCCC2NCCC21
InChIInChI=1S/C10H21N.C8H16N2.C8H15N.C7H13N/c1-10-6-4-3-5-8-11(2)9-7-10;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/h10H,3-9H2,1-2H3;7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3
InChIKeyGQZJBDARNWHCGN-UHFFFAOYSA-N
XLogP5.69
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.92
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

9-[4-[3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-9-yl)cyclohexyl]cyclohexyl]-3-N,3-N,6-N,6-N-tetracyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine
CID 140888500
5-[4-[3,5-bis(1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indol-9-yl)cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
CID 140888513
N,N-dicyclohexyl-5-[4-[3-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperazin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
CID 140888523
5-[4-[3,5-bis(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl)cyclohexyl]cyclohexyl]-N,N-dicyclohexyl-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
CID 140888537
6-[1-[4-(1,2,3,4,4a,5,6,7,8,8a-Decahydro-1,5-naphthyridin-4-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]-9-cyclohexyl-1-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 140888651
7-Cyclohexyl-5-[4-[1-[4-(5-cyclohexylpiperazin-2-yl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole
CID 140888737
8-(1,2,3,4,4a,4b,5,6,7,8,8a,9a-Dodecahydrocarbazol-9-yl)-5-(4-piperazin-2-ylcyclohexyl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole
CID 140888826
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
1,9,18,36-Tetrazanonacyclo[16.13.2.219,22.228,31.123,27.02,7.08,32.011,33.012,17]octatriacontane
CID 154011420
1,9,18,25-Tetrazanonacyclo[16.13.2.219,22.228,31.123,27.02,7.08,32.011,33.012,17]octatriacontane
CID 154011421
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCCCCN(C)CC1.CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCCC2NCCC21.
What is the InChIKey of 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?
The InChIKey is GQZJBDARNWHCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C8H16N2.C8H15N.C7H13N/c1-10-6-4-3-5-8-11(2)9-7-10;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/h10H,3-9H2,1-2H3;7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 531.92 g/mol, XLogP of 5.69, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158339532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).