3,8-diazabicyclo[3.2.1]octane;dihydrochloride

C6H14Cl2N2 — CID 22647870

IUPAC3,8-diazabicyclo[3.2.1]octane;dihydrochloride
SMILESC1CC2CNCC1N2.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-2-6-4-7-3-5(1)8-6;;/h5-8H,1-4H2;2*1H
InChIKeyQQZDECZROKFYDQ-UHFFFAOYSA-N
MW185.10 g/mol
LogP0.55
Rot. Bonds

About 3,8-diazabicyclo[3.2.1]octane;dihydrochloride

3,8-diazabicyclo[3.2.1]octane;dihydrochloride (PubChem CID 22647870) has the molecular formula C6H14Cl2N2 and a molecular weight of 185.10 g/mol. Its IUPAC name is 3,8-diazabicyclo[3.2.1]octane;dihydrochloride.

Molecular Properties

Compound Name3,8-diazabicyclo[3.2.1]octane;dihydrochloride
PubChem CID22647870
Molecular FormulaC6H14Cl2N2
Molecular Weight185.10 g/mol
Exact Mass184.05
IUPAC Name3,8-diazabicyclo[3.2.1]octane;dihydrochloride
SMILESC1CC2CNCC1N2.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-2-6-4-7-3-5(1)8-6;;/h5-8H,1-4H2;2*1H
InChIKeyQQZDECZROKFYDQ-UHFFFAOYSA-N
XLogP0.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Diazabicyclo[3.2.1]octane dihydrochloride
CID 12374078
3-Methyl-3,8-diazabicyclo(3.2.1)octane
CID 12378900
8-Methyl-3,8-diazabicyclo(3.2.1)octane dihydrochloride
CID 22120189
8-(Propan-2-yl)-3,8-diazabicyclo[3.2.1]octane
CID 57963913
8-Ethyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride
CID 146380468
8-Methyl-3,8-diazabicyclo[3.2.1]octane
CID 422924
3,8-Diazabicyclo(3.2.1)octane
CID 12430587
6-Methyl-2,6-diazabicyclo[3.2.1]octane dihydrochloride
CID 146675322
2,6-Diazabicyclo[3.2.1]octane
CID 67134509
8-Ethyl-3,8-diazabicyclo[3.2.1]octane
CID 21467295
6-Methyl-2,6-diazabicyclo[3.2.1]octane
CID 146675323
8-Fluoro-3,8-diazabicyclo[3.2.1]octane
CID 156110724

Frequently Asked Questions

What is the IUPAC name of 3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
The IUPAC name of 3,8-diazabicyclo[3.2.1]octane;dihydrochloride (CID 22647870) is 3,8-diazabicyclo[3.2.1]octane;dihydrochloride.
What is the SMILES notation for 3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
The canonical SMILES for 3,8-diazabicyclo[3.2.1]octane;dihydrochloride is C1CC2CNCC1N2.Cl.Cl.
What is the InChIKey of 3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
The InChIKey is QQZDECZROKFYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.2ClH/c1-2-6-4-7-3-5(1)8-6;;/h5-8H,1-4H2;2*1H.
What are the key properties of 3,8-diazabicyclo[3.2.1]octane;dihydrochloride?
3,8-diazabicyclo[3.2.1]octane;dihydrochloride has a molecular weight of 185.10 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[3.2.1]octane;dihydrochloride is sourced from PubChem (CID 22647870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).