1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane

C21H35N3 — CID 139797966

IUPAC1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane
SMILESC1CC2CCC(C3CCC4CCC3(C35CCCC(CC3)N5)N4)(C1)N2
InChIInChI=1S/C21H35N3/c1-3-15-7-12-19(10-1,22-15)18-6-5-17-9-14-21(18,24-17)20-11-2-4-16(23-20)8-13-20/h15-18,22-24H,1-14H2
InChIKeyORMHRMPMBWYQPF-UHFFFAOYSA-N
MW329.53 g/mol
LogP3.24
Rot. Bonds2

About 1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane

1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane (PubChem CID 139797966) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane
PubChem CID139797966
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane
SMILESC1CC2CCC(C3CCC4CCC3(C35CCCC(CC3)N5)N4)(C1)N2
InChIInChI=1S/C21H35N3/c1-3-15-7-12-19(10-1,22-15)18-6-5-17-9-14-21(18,24-17)20-11-2-4-16(23-20)8-13-20/h15-18,22-24H,1-14H2
InChIKeyORMHRMPMBWYQPF-UHFFFAOYSA-N
XLogP3.24
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,5-Diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 90834088
1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane
CID 91241962
(1R,3R,5S)-1-(4-amino-1,4-dimethylpiperidin-2-yl)-4-[(1R,3R,5S)-3-amino-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 135182229
(1S,3S,5R)-4-(4-amino-1,4-dimethylpiperidin-3-yl)-1-[(1R,3R,5S)-3-amino-8-methyl-8-azabicyclo[3.2.1]octan-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 138742864
1-Tert-butyl-4-piperidin-4-ylpiperidine;1-tert-butyl-4-pyrrolidin-2-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 158421165
9-(1,8-Diazaspiro[4.5]decan-2-yl)-2-(2,7-diazaspiro[4.5]decan-9-yl)-2,6-diazaspiro[4.5]decane
CID 167199396
1-[3-(Aminomethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-1-yl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 167258014
(1R,3R,5S)-6-[2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]ethyl]-3-[1-[(1S,3S,5R)-3-ethyl-8-azabicyclo[3.2.1]octan-6-yl]propan-2-yl]-8-azabicyclo[3.2.1]octane
CID 169991257

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane (CID 139797966) is 1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane is C1CC2CCC(C3CCC4CCC3(C35CCCC(CC3)N5)N4)(C1)N2.
What is the InChIKey of 1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane?
The InChIKey is ORMHRMPMBWYQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3/c1-3-15-7-12-19(10-1,22-15)18-6-5-17-9-14-21(18,24-17)20-11-2-4-16(23-20)8-13-20/h15-18,22-24H,1-14H2.
What are the key properties of 1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane?
1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane has a molecular weight of 329.53 g/mol, XLogP of 3.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(8-azabicyclo[3.2.1]octan-1-yl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 139797966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).