2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane

C46H86N6 — CID 159478716

IUPAC2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC2.CN1C2CCCC1CC2.CN1CC2CCC(C2)C1.CN1CC2CCC1C2.CN1CC2CCC1CC2.CN1CCC2CCC1C2
InChIInChI=1S/4C8H15N.2C7H13N/c1-9-6-7-2-4-8(9)5-3-7;1-9-5-7-2-3-8(4-7)6-9;1-9-5-4-7-2-3-8(9)6-7;1-9-7-3-2-4-8(9)6-5-7;1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h4*7-8H,2-6H2,1H3;2*6-7H,2-5H2,1H3
InChIKeyLWSKAVCSFOBZPM-UHFFFAOYSA-N
MW723.24 g/mol
LogP8.31
Rot. Bonds

About 2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane

2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 159478716) has the molecular formula C46H86N6 and a molecular weight of 723.24 g/mol. Its IUPAC name is 2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID159478716
Molecular FormulaC46H86N6
Molecular Weight723.24 g/mol
Exact Mass722.69
IUPAC Name2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC2.CN1C2CCCC1CC2.CN1CC2CCC(C2)C1.CN1CC2CCC1C2.CN1CC2CCC1CC2.CN1CCC2CCC1C2
InChIInChI=1S/4C8H15N.2C7H13N/c1-9-6-7-2-4-8(9)5-3-7;1-9-5-7-2-3-8(4-7)6-9;1-9-5-4-7-2-3-8(9)6-7;1-9-7-3-2-4-8(9)6-5-7;1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h4*7-8H,2-6H2,1H3;2*6-7H,2-5H2,1H3
InChIKeyLWSKAVCSFOBZPM-UHFFFAOYSA-N
XLogP8.31
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.24
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

2-Tert-butyl-2-azabicyclo[2.2.1]heptane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane
CID 158335310
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane
CID 158689282
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane
CID 160355261
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine
CID 160395778
2,5-Dimethyl-2,5-diazabicyclo[2.2.1]heptane;3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);ethane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane
CID 160729615
2-Methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine
CID 160915566
8-Tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane
CID 161213305
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane
CID 161518985
2-Methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[4.1.0]heptane;2-methyl-2-azabicyclo[3.1.0]hexane;bis(3-methyl-3-azabicyclo[3.1.0]hexane);3-methyl-3-azabicyclo[3.2.1]octane;2-methyl-2-azaspiro[4.4]nonane;6-methyl-6-azaspiro[2.5]octane
CID 161922580
Bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane
CID 167619112
Bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane;2-propan-2-yl-2-azabicyclo[2.2.2]octane
CID 167664587
bis(1,1-dimethylcyclopentane);(2S)-1,2-dimethylpiperidine;(2R)-1,2-dimethylpiperidine;(3S)-1,3-dimethylpiperidine;(3R)-1,3-dimethylpiperidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;(2R)-2-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[2.2.1]heptane;(7R)-7-methyl-1-azabicyclo[2.2.1]heptane;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[3.2.2]nonane;(2R)-2-methyl-1-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;tetrakis(methylcyclohexane);(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,2,2-trimethylpyrrolidine)
CID 167692624

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane (CID 159478716) is 2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane is CN1C2CCC1CC2.CN1C2CCCC1CC2.CN1CC2CCC(C2)C1.CN1CC2CCC1C2.CN1CC2CCC1CC2.CN1CCC2CCC1C2.
What is the InChIKey of 2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is LWSKAVCSFOBZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H15N.2C7H13N/c1-9-6-7-2-4-8(9)5-3-7;1-9-5-7-2-3-8(4-7)6-9;1-9-5-4-7-2-3-8(9)6-7;1-9-7-3-2-4-8(9)6-5-7;1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h4*7-8H,2-6H2,1H3;2*6-7H,2-5H2,1H3.
What are the key properties of 2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane?
2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 723.24 g/mol, XLogP of 8.31, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 159478716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).