2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane

C13H22N2 — CID 57312536

IUPAC2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane
SMILESC1CN2CCC1CC2C1CC2CCN1C2
InChIInChI=1S/C13H22N2/c1-4-14-5-2-10(1)7-12(14)13-8-11-3-6-15(13)9-11/h10-13H,1-9H2
InChIKeyQYWJBLYPGZWVNV-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.56
Rot. Bonds1

About 2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane

2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 57312536) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane
PubChem CID57312536
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane
SMILESC1CN2CCC1CC2C1CC2CCN1C2
InChIInChI=1S/C13H22N2/c1-4-14-5-2-10(1)7-12(14)13-8-11-3-6-15(13)9-11/h10-13H,1-9H2
InChIKeyQYWJBLYPGZWVNV-UHFFFAOYSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carbanide;bis(4-methyl-2-(4-methylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)
CID 59582768
2-(2-Azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane
CID 130281432
4-Iodo-3-(4-iodo-1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane
CID 155038987
4-Iodo-2-(4-iodo-1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane
CID 155039008
3-[1-(5-Ethyl-1-azabicyclo[2.2.1]heptan-3-yl)propan-2-yl]-1-azabicyclo[2.2.2]octane
CID 156426985
1,3-Bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine)
CID 157108199
3-(1-Azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane
CID 163704471
(1R,4R)-2-propan-2-yl-5-[3-[1-[5-[4-[(1R)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-1-yl]hexan-2-yl]piperidin-4-yl]propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 167088972
1-[17-(4-Aza-1-azoniabicyclo[2.2.1]heptan-1-yl)-7-methylheptadecyl]-1-azoniabicyclo[2.2.2]octane
CID 169178851
3-(2-Azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane
CID 175628919

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane (CID 57312536) is 2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane is C1CN2CCC1CC2C1CC2CCN1C2.
What is the InChIKey of 2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is QYWJBLYPGZWVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-14-5-2-10(1)7-12(14)13-8-11-3-6-15(13)9-11/h10-13H,1-9H2.
What are the key properties of 2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane?
2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 206.33 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 57312536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).