3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane

C13H22N2 — CID 163704471

IUPAC3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane
SMILESC1CN2CCC1C(C1CN3CCC1C3)C2
InChIInChI=1S/C13H22N2/c1-4-14-5-2-10(1)12(8-14)13-9-15-6-3-11(13)7-15/h10-13H,1-9H2
InChIKeyKDVWBEYBKCVEJD-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.28
Rot. Bonds1

About 3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane

3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 163704471) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane
PubChem CID163704471
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane
SMILESC1CN2CCC1C(C1CN3CCC1C3)C2
InChIInChI=1S/C13H22N2/c1-4-14-5-2-10(1)12(8-14)13-9-15-6-3-11(13)7-15/h10-13H,1-9H2
InChIKeyKDVWBEYBKCVEJD-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Azabicyclo[2.2.1]heptan-2-yl)-1-azabicyclo[2.2.2]octane
CID 57312536
4-Iodo-3-(4-iodo-1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane
CID 155038987
3-[1-(5-Ethyl-1-azabicyclo[2.2.1]heptan-3-yl)propan-2-yl]-1-azabicyclo[2.2.2]octane
CID 156426985
2,3-Dimethylpentane;8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine;1-methyl-4-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;bis(2-methylpentane)
CID 158695141
1-Azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane
CID 160206512

Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane (CID 163704471) is 3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane is C1CN2CCC1C(C1CN3CCC1C3)C2.
What is the InChIKey of 3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is KDVWBEYBKCVEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-14-5-2-10(1)12(8-14)13-9-15-6-3-11(13)7-15/h10-13H,1-9H2.
What are the key properties of 3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane?
3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 206.33 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[2.2.1]heptan-3-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 163704471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).