2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane

C58H116N8 — CID 158820059

IUPAC2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane
SMILESCC1CCC2CCC1N2C.CC1CCCN(C)C1.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN2CCC1C2.CC1CN2CCC1CC2.CC1CN2CCCC1C2
InChIInChI=1S/C9H17N.2C8H15N.C7H13N.2C7H15N.2C6H13N/c1-7-3-4-8-5-6-9(7)10(8)2;1-7-6-9-4-2-8(7)3-5-9;1-7-5-9-4-2-3-8(7)6-9;1-6-4-8-3-2-7(6)5-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2/h7-9H,3-6H2,1-2H3;2*7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;2*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3
InChIKeyIVTFWDFFKDPXOR-UHFFFAOYSA-N
MW925.62 g/mol
LogP10.29
Rot. Bonds

About 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane

2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane (PubChem CID 158820059) has the molecular formula C58H116N8 and a molecular weight of 925.62 g/mol. Its IUPAC name is 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane
PubChem CID158820059
Molecular FormulaC58H116N8
Molecular Weight925.62 g/mol
Exact Mass924.93
IUPAC Name2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane
SMILESCC1CCC2CCC1N2C.CC1CCCN(C)C1.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN2CCC1C2.CC1CN2CCC1CC2.CC1CN2CCCC1C2
InChIInChI=1S/C9H17N.2C8H15N.C7H13N.2C7H15N.2C6H13N/c1-7-3-4-8-5-6-9(7)10(8)2;1-7-6-9-4-2-8(7)3-5-9;1-7-5-9-4-2-3-8(7)6-9;1-6-4-8-3-2-7(6)5-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2/h7-9H,3-6H2,1-2H3;2*7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;2*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3
InChIKeyIVTFWDFFKDPXOR-UHFFFAOYSA-N
XLogP10.29
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.62
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

2,8-Dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-ethyl-3-methylazepane;methane;3-methyl-1-azabicyclo[2.2.1]heptane;methylcyclobutane
CID 157113571
Tris(3-tert-butyl-6-methyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptane;ethane;tris(3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octane)
CID 157490256
methane;(3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane
CID 157496758
3,6-Di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 157671451
methane;2-methyl-1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepine;8-methyl-1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepine;2-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine;2-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine;7-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine;2-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 157869910
Carbanide;6,7,9,10-tetramethyl-5-azoniaspiro[4.5]decane;6,8,9,10-tetramethyl-5-azoniaspiro[4.5]decane;7,8,9,10-tetramethyl-5-azoniaspiro[4.5]decane;6,8,10-trimethyl-5-azoniaspiro[4.5]decane;6,9,10-trimethyl-5-azoniaspiro[4.5]decane;7,8,9-trimethyl-5-azoniaspiro[4.5]decane;7,8,10-trimethyl-5-azoniaspiro[4.5]decane
CID 158202630
2,2-Dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine
CID 158562511
1,4-Di(propan-2-yl)-4-aza-1-azoniabicyclo[3.2.2]nonane;1,4-di(propan-2-yl)-1-azoniabicyclo[2.2.1]heptane;1,5-di(propan-2-yl)-1-azoniabicyclo[3.3.1]nonane;1,4-di(propan-2-yl)-1-azoniabicyclo[2.2.2]octane;1,1-di(propan-2-yl)pyrrolidin-1-ium;5-methyl-2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane
CID 158581663
(3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(3S,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(3S,5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6S)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane
CID 158712910
(3R,4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;(4R)-3-(2-methylpropyl)-1-azabicyclo[2.2.1]heptane;3-(2-methylpropyl)-1-azabicyclo[3.2.2]nonane;3-(2-methylpropyl)-1-azabicyclo[2.2.2]octane;(3R,5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5S)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-3-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane;(5R,6R)-6-(2-methylpropyl)-1-azabicyclo[3.2.1]octane
CID 158712911
Tert-butylcyclohexane;bis(4-tert-butyl-1-methylpiperidine);tris(1-(3,3-dimethylbutyl)-4-methylpiperazine);1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)pyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpiperidine);tris(4-(2,2-dimethylpropyl)-1-methylpiperidine);2-(2,2-dimethylpropyl)-1-methylpyrrolidine;tris(3-(2,2-dimethylpropyl)-1-methylpyrrolidine);methane
CID 159046914
dimethyl-di(propan-2-yl)azanium;1,4-di(propan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;4,8-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium;9-methyl-3,9-di(propan-2-yl)-3-aza-9-azoniabicyclo[3.3.1]nonane;2-methyl-2,5-di(propan-2-yl)-5-aza-2-azoniabicyclo[2.2.2]octane;8-methyl-3,8-di(propan-2-yl)-3-aza-8-azoniabicyclo[3.2.1]octane;9-methyl-3,9-di(propan-2-yl)-9-azoniabicyclo[3.3.1]nonane;8-methyl-3,8-di(propan-2-yl)-8-azoniabicyclo[3.2.1]octane
CID 159397637

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane?
The IUPAC name of 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane (CID 158820059) is 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane is CC1CCC2CCC1N2C.CC1CCCN(C)C1.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN2CCC1C2.CC1CN2CCC1CC2.CC1CN2CCCC1C2.
What is the InChIKey of 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane?
The InChIKey is IVTFWDFFKDPXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.2C8H15N.C7H13N.2C7H15N.2C6H13N/c1-7-3-4-8-5-6-9(7)10(8)2;1-7-6-9-4-2-8(7)3-5-9;1-7-5-9-4-2-3-8(7)6-9;1-6-4-8-3-2-7(6)5-8;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2/h7-9H,3-6H2,1-2H3;2*7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;2*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3.
What are the key properties of 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane?
2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane has a molecular weight of 925.62 g/mol, XLogP of 10.29, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 158820059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).