2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride

C6H14Cl2N2 — CID 22924403

IUPAC2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
SMILESCN1CC2CC1CN2.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-8-4-5-2-6(8)3-7-5;;/h5-7H,2-4H2,1H3;2*1H
InChIKeyCPKLWCPJBAELNP-UHFFFAOYSA-N
MW185.10 g/mol
LogP0.51
Rot. Bonds

About 2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride

2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride (PubChem CID 22924403) has the molecular formula C6H14Cl2N2 and a molecular weight of 185.10 g/mol. Its IUPAC name is 2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride.

Molecular Properties

Compound Name2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
PubChem CID22924403
Molecular FormulaC6H14Cl2N2
Molecular Weight185.10 g/mol
Exact Mass184.05
IUPAC Name2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
SMILESCN1CC2CC1CN2.Cl.Cl
InChIInChI=1S/C6H12N2.2ClH/c1-8-4-5-2-6(8)3-7-5;;/h5-7H,2-4H2,1H3;2*1H
InChIKeyCPKLWCPJBAELNP-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 2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
The IUPAC name of 2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride (CID 22924403) is 2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride.
What is the SMILES notation for 2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
The canonical SMILES for 2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride is CN1CC2CC1CN2.Cl.Cl.
What is the InChIKey of 2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
The InChIKey is CPKLWCPJBAELNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.2ClH/c1-8-4-5-2-6(8)3-7-5;;/h5-7H,2-4H2,1H3;2*1H.
What are the key properties of 2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
2-methyl-2,5-diazabicyclo[2.2.1]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 2-methyl-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride is sourced from PubChem (CID 22924403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).