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

C6H14Cl2N2 — CID 137347634

IUPAC6-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride
SMILESCN1C2CNCC1C2.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-8-5-2-6(8)4-7-3-5;;/h5-7H,2-4H2,1H3;2*1H
InChIKeyBZHSMQLNOPUPIG-UHFFFAOYSA-N
MW185.10 g/mol
LogP0.51
Rot. Bonds

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

6-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride (PubChem CID 137347634) has the molecular formula C6H14Cl2N2 and a molecular weight of 185.10 g/mol. Its IUPAC name is 6-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride.

Molecular Properties

Compound Name6-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride
PubChem CID137347634
Molecular FormulaC6H14Cl2N2
Molecular Weight185.10 g/mol
Exact Mass184.05
IUPAC Name6-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride
SMILESCN1C2CNCC1C2.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-8-5-2-6(8)4-7-3-5;;/h5-7H,2-4H2,1H3;2*1H
InChIKeyBZHSMQLNOPUPIG-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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Related Compounds

1-(3-Azetidinyl)piperidine dihydrochloride
CID 23224633
1-(Piperidin-4-yl)-4-propylpiperazine trihydrochloride
CID 67163786
1-(1-Methylpiperidin-4-yl)piperazine;trihydrochloride
CID 71742137
3-Methyl-3,6-diazabicyclo(3.1.1)heptane dihydrochloride
CID 131698274
1-Methyl-4-(piperidin-3-yl)piperazine trihydrochloride
CID 131729826
1-Ethyl-4-(piperidin-4-yl)piperazine trihydrochloride
CID 42948936
1-(1,2-Dimethylpiperidin-4-yl)piperazine trihydrochloride
CID 71757617
3,6-Diazabicyclo[3.1.1]heptane
CID 20581047
1-Methyl-4-(piperidin-4-yl)piperazine trihydrochloride
CID 71742134
3-Methyl-3,6-diazabicyclo[3.1.1]heptane
CID 21138914
6-Methyl-3,6-diazabicyclo[3.1.1]heptane
CID 21138917
3,3-Difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride
CID 157089662

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride?
The IUPAC name of 6-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride (CID 137347634) is 6-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride.
What is the SMILES notation for 6-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride?
The canonical SMILES for 6-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride is CN1C2CNCC1C2.Cl.Cl.
What is the InChIKey of 6-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride?
The InChIKey is BZHSMQLNOPUPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.2ClH/c1-8-5-2-6(8)4-7-3-5;;/h5-7H,2-4H2,1H3;2*1H.
What are the key properties of 6-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride?
6-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 6-methyl-3,6-diazabicyclo[3.1.1]heptane;dihydrochloride is sourced from PubChem (CID 137347634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).