3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane

C12H21N3 — CID 149474306

IUPAC3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESC1CC2CN(C3CC4CC3CN4)CC1N2
InChIInChI=1S/C12H21N3/c1-2-10-7-15(6-9(1)14-10)12-4-11-3-8(12)5-13-11/h8-14H,1-7H2
InChIKeyZBYZZJSZAFSATG-UHFFFAOYSA-N
MW207.32 g/mol
LogP0.17
Rot. Bonds1

About 3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane

3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 149474306) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID149474306
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESC1CC2CN(C3CC4CC3CN4)CC1N2
InChIInChI=1S/C12H21N3/c1-2-10-7-15(6-9(1)14-10)12-4-11-3-8(12)5-13-11/h8-14H,1-7H2
InChIKeyZBYZZJSZAFSATG-UHFFFAOYSA-N
XLogP0.17
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3,8-diazabicyclo[3.2.1]octane
CID 166046474
3-cyclopropyl-8-azabicyclo[3.2.1]octane
CID 105429641
3-bromo-3,8-diazabicyclo[3.2.1]octane
CID 89020719
(1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane
CID 168890480
(4R,5R)-2-azabicyclo[2.2.1]heptan-5-amine
CID 121336326
ethane;5-methyl-2-azabicyclo[2.2.1]heptane
CID 156793137
3-sulfanyl-3,8-diazabicyclo[3.2.1]octane
CID 149443562
31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane
CID 90736283
3-(3,5-dimethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313832
(5S)-2-azabicyclo[2.2.2]octan-5-amine
CID 146429192
ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 156708920
3-cyclohexyl-3,9-diazabicyclo[4.2.1]nonane
CID 115313678

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane (CID 149474306) is 3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane is C1CC2CN(C3CC4CC3CN4)CC1N2.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is ZBYZZJSZAFSATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-10-7-15(6-9(1)14-10)12-4-11-3-8(12)5-13-11/h8-14H,1-7H2.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane?
3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 207.32 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-5-yl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 149474306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).