2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane

C49H85N5 — CID 163601194

IUPAC2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane
SMILESCC12C3C4C5C3C1N5C42.CC12CCC(CC1)CC2.CC1CC2CCC1N(C)C2.CC1CC2CCN1CC2.CC1CN2CCC1C2.CC1CN2CCC1CC2
InChIInChI=1S/C9H17N.C9H16.C8H9N.2C8H15N.C7H13N/c1-7-5-8-3-4-9(7)10(2)6-8;1-9-5-2-8(3-6-9)4-7-9;1-8-4-2-5-3(4)7(8)9(5)6(2)8;1-7-6-9-4-2-8(7)3-5-9;1-7-6-8-2-4-9(7)5-3-8;1-6-4-8-3-2-7(6)5-8/h7-9H,3-6H2,1-2H3;8H,2-7H2,1H3;2-7H,1H3;2*7-8H,2-6H2,1H3;6-7H,2-5H2,1H3
InChIKeyGXUOATMVDOSISL-UHFFFAOYSA-N
MW744.25 g/mol
LogP8.83
Rot. Bonds

About 2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane

2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane (PubChem CID 163601194) has the molecular formula C49H85N5 and a molecular weight of 744.25 g/mol. Its IUPAC name is 2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane
PubChem CID163601194
Molecular FormulaC49H85N5
Molecular Weight744.25 g/mol
Exact Mass743.68
IUPAC Name2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane
SMILESCC12C3C4C5C3C1N5C42.CC12CCC(CC1)CC2.CC1CC2CCC1N(C)C2.CC1CC2CCN1CC2.CC1CN2CCC1C2.CC1CN2CCC1CC2
InChIInChI=1S/C9H17N.C9H16.C8H9N.2C8H15N.C7H13N/c1-7-5-8-3-4-9(7)10(2)6-8;1-9-5-2-8(3-6-9)4-7-9;1-8-4-2-5-3(4)7(8)9(5)6(2)8;1-7-6-9-4-2-8(7)3-5-9;1-7-6-8-2-4-9(7)5-3-8;1-6-4-8-3-2-7(6)5-8/h7-9H,3-6H2,1-2H3;8H,2-7H2,1H3;2-7H,1H3;2*7-8H,2-6H2,1H3;6-7H,2-5H2,1H3
InChIKeyGXUOATMVDOSISL-UHFFFAOYSA-N
XLogP8.83
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.25
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane with MolForge

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Related Compounds

2,6-dimethylheptane;2,5-dimethylhexane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;tetrakis(1,3-di(propan-2-yl)cyclobutane);bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;bis(1,3-di(propan-2-yl)pyrrolidine);bis(2-(2-methylpropyl)-1-propan-2-ylazetidine);(2R)-2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;bis(3-(2-methylpropyl)-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 157509307
2,6-dimethylheptane;2,5-dimethylhexane;2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;tetrakis(1,3-di(propan-2-yl)cyclobutane);bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;bis(1,3-di(propan-2-yl)pyrrolidine);bis(2-(2-methylpropyl)-1-propan-2-ylazetidine);(2R)-2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;bis(3-(2-methylpropyl)-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 158404215
2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;tetrakis(1,3-di(propan-2-yl)cyclobutane);bis(1,4-di(propan-2-yl)cyclohexane);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;bis(1,3-di(propan-2-yl)pyrrolidine);bis(2-(2-methylpropyl)-1-propan-2-ylazetidine);(2R)-2-(2-methylpropyl)-1-propan-2-ylazetidine;3-(2-methylpropyl)-1-propan-2-ylazetidine;2-(2-methylpropyl)-1-propan-2-ylpiperidine;bis(3-(2-methylpropyl)-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 159644958
3-Methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane
CID 163862793
1,4-Dimethyl-1-azoniabicyclo[2.2.2]octane;1,3-dimethyl-1-azoniapentacyclo[4.2.0.02,5.03,8.04,7]octane;3-methyl-1-oxido-1-azoniabicyclo[2.2.1]heptane;2-methyl-1-oxido-1-azoniabicyclo[2.2.2]octane;3-methyl-1-oxido-1-azoniabicyclo[2.2.2]octane;2,2,6-trimethyl-2-azoniabicyclo[2.2.2]octane
CID 164018531
8-Tert-butyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2-azaspiro[3.3]heptane;3,9-ditert-butyl-3-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
CID 164984112

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane?
The IUPAC name of 2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane (CID 163601194) is 2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane.
What is the SMILES notation for 2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane?
The canonical SMILES for 2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane is CC12C3C4C5C3C1N5C42.CC12CCC(CC1)CC2.CC1CC2CCC1N(C)C2.CC1CC2CCN1CC2.CC1CN2CCC1C2.CC1CN2CCC1CC2.
What is the InChIKey of 2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane?
The InChIKey is GXUOATMVDOSISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C9H16.C8H9N.2C8H15N.C7H13N/c1-7-5-8-3-4-9(7)10(2)6-8;1-9-5-2-8(3-6-9)4-7-9;1-8-4-2-5-3(4)7(8)9(5)6(2)8;1-7-6-9-4-2-8(7)3-5-9;1-7-6-8-2-4-9(7)5-3-8;1-6-4-8-3-2-7(6)5-8/h7-9H,3-6H2,1-2H3;8H,2-7H2,1H3;2-7H,1H3;2*7-8H,2-6H2,1H3;6-7H,2-5H2,1H3.
What are the key properties of 2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane?
2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane has a molecular weight of 744.25 g/mol, XLogP of 8.83, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane is sourced from PubChem (CID 163601194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).