3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride

C6H14Cl2N2 — CID 131698274

IUPAC3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride
SMILESCN1CC2CC(C1)N2.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-8-3-5-2-6(4-8)7-5;;/h5-7H,2-4H2,1H3;2*1H
InChIKeyLTJJMBQYCGDMHB-UHFFFAOYSA-N
MW185.10 g/mol
LogP0.51
Rot. Bonds

About 3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride

3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride (PubChem CID 131698274) has the molecular formula C6H14Cl2N2 and a molecular weight of 185.10 g/mol. Its IUPAC name is 3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride.

Molecular Properties

Compound Name3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride
PubChem CID131698274
Molecular FormulaC6H14Cl2N2
Molecular Weight185.10 g/mol
Exact Mass184.05
IUPAC Name3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride
SMILESCN1CC2CC(C1)N2.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-8-3-5-2-6(4-8)7-5;;/h5-7H,2-4H2,1H3;2*1H
InChIKeyLTJJMBQYCGDMHB-UHFFFAOYSA-N
XLogP0.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride?
The IUPAC name of 3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride (CID 131698274) is 3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride.
What is the SMILES notation for 3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride?
The canonical SMILES for 3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride is CN1CC2CC(C1)N2.Cl.Cl.
What is the InChIKey of 3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride?
The InChIKey is LTJJMBQYCGDMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.2ClH/c1-8-3-5-2-6(4-8)7-5;;/h5-7H,2-4H2,1H3;2*1H.
What are the key properties of 3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride?
3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride has a molecular weight of 185.10 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride is sourced from PubChem (CID 131698274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).