bis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane

C48H88N8 — CID 163916774

IUPACbis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane
SMILESC1CC2CC1CN2.C1CC2CC1CN2.C1CC2CC2CN1.C1CC2CC2N1.C1CC2CCC(C1)N2.C1CC2CNCC1C2.C1CNC2CC2C1.C1NCC2CC12
InChIInChI=1S/2C7H13N.4C6H11N.2C5H9N/c1-2-7-3-6(1)4-8-5-7;1-2-6-4-5-7(3-1)8-6;1-2-7-4-6-3-5(1)6;2*1-2-6-3-5(1)4-7-6;1-2-5-4-6(5)7-3-1;1-4-2-6-3-5(1)4;1-2-6-5-3-4(1)5/h2*6-8H,1-5H2;4*5-7H,1-4H2;2*4-6H,1-3H2
InChIKeyQWYBXXIAJCGDAK-UHFFFAOYSA-N
MW777.29 g/mol
LogP5.78
Rot. Bonds

About bis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane

bis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane (PubChem CID 163916774) has the molecular formula C48H88N8 and a molecular weight of 777.29 g/mol. Its IUPAC name is bis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Namebis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane
PubChem CID163916774
Molecular FormulaC48H88N8
Molecular Weight777.29 g/mol
Exact Mass776.71
IUPAC Namebis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane
SMILESC1CC2CC1CN2.C1CC2CC1CN2.C1CC2CC2CN1.C1CC2CC2N1.C1CC2CCC(C1)N2.C1CC2CNCC1C2.C1CNC2CC2C1.C1NCC2CC12
InChIInChI=1S/2C7H13N.4C6H11N.2C5H9N/c1-2-7-3-6(1)4-8-5-7;1-2-6-4-5-7(3-1)8-6;1-2-7-4-6-3-5(1)6;2*1-2-6-3-5(1)4-7-6;1-2-5-4-6(5)7-3-1;1-4-2-6-3-5(1)4;1-2-6-5-3-4(1)5/h2*6-8H,1-5H2;4*5-7H,1-4H2;2*4-6H,1-3H2
InChIKeyQWYBXXIAJCGDAK-UHFFFAOYSA-N
XLogP5.78
TPSA96.24 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500777.29
LogP ≤ 55.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze bis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;bis((1R,4S)-2-azabicyclo[2.2.1]heptane);2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;bis(3,8-diazabicyclo[3.2.1]octane)
CID 157063492
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
(1R,4R)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;(1R,4S)-2-tert-butyl-7-azabicyclo[2.2.1]heptane;3-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-azaspiro[2.4]heptane;2-tert-butyl-7-methyl-7-azabicyclo[2.2.1]heptane;7-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-8-methyl-8-azabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3-azabicyclo[3.2.1]octane;7-tert-butyl-5-methyl-5-azaspiro[2.4]heptane
CID 167606909
1,1-dimethylcyclopentane;bis(1,4-dimethylpiperidine);(2S)-1,2-dimethylpiperidine;(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;(2S)-2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine
CID 167697495
1,1-dimethylcyclopentane;1,2-dimethylpiperidine;bis(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;(2S)-1,2-dimethylpyrrolidine;(7S)-7-methyl-1-azabicyclo[2.2.1]heptane;(2S)-2-methyl-1-azabicyclo[3.2.2]nonane;(2S)-2-methyl-1-azabicyclo[2.2.2]octane;methylcyclopentane;2-methylpiperidine;(3S)-3-methylpiperidine;(2S)-2-methyl-1-propan-2-ylpyrrolidine;bis(1,4,4-trimethylpiperidine);1,2,2-trimethylpyrrolidine
CID 167697496

Frequently Asked Questions

What is the IUPAC name of bis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane?
The IUPAC name of bis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane (CID 163916774) is bis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane.
What is the SMILES notation for bis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane?
The canonical SMILES for bis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane is C1CC2CC1CN2.C1CC2CC1CN2.C1CC2CC2CN1.C1CC2CC2N1.C1CC2CCC(C1)N2.C1CC2CNCC1C2.C1CNC2CC2C1.C1NCC2CC12.
What is the InChIKey of bis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane?
The InChIKey is QWYBXXIAJCGDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13N.4C6H11N.2C5H9N/c1-2-7-3-6(1)4-8-5-7;1-2-6-4-5-7(3-1)8-6;1-2-7-4-6-3-5(1)6;2*1-2-6-3-5(1)4-7-6;1-2-5-4-6(5)7-3-1;1-4-2-6-3-5(1)4;1-2-6-5-3-4(1)5/h2*6-8H,1-5H2;4*5-7H,1-4H2;2*4-6H,1-3H2.
What are the key properties of bis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane?
bis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane has a molecular weight of 777.29 g/mol, XLogP of 5.78, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-azabicyclo[2.2.1]heptane);2-azabicyclo[4.1.0]heptane;3-azabicyclo[4.1.0]heptane;2-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 163916774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).