2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride

C7H16Cl2N2 — CID 135393059

IUPAC2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride
SMILESCN1CCCC2NCC21.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-9-4-2-3-6-7(9)5-8-6;;/h6-8H,2-5H2,1H3;2*1H
InChIKeyYFNSTMLEEIGWCO-UHFFFAOYSA-N
MW199.12 g/mol
LogP0.90
Rot. Bonds

About 2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride

2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride (PubChem CID 135393059) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is 2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride.

Molecular Properties

Compound Name2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride
PubChem CID135393059
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Name2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride
SMILESCN1CCCC2NCC21.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-9-4-2-3-6-7(9)5-8-6;;/h6-8H,2-5H2,1H3;2*1H
InChIKeyYFNSTMLEEIGWCO-UHFFFAOYSA-N
XLogP0.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride?
The IUPAC name of 2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride (CID 135393059) is 2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride.
What is the SMILES notation for 2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride?
The canonical SMILES for 2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride is CN1CCCC2NCC21.Cl.Cl.
What is the InChIKey of 2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride?
The InChIKey is YFNSTMLEEIGWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.2ClH/c1-9-4-2-3-6-7(9)5-8-6;;/h6-8H,2-5H2,1H3;2*1H.
What are the key properties of 2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride?
2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride has a molecular weight of 199.12 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride is sourced from PubChem (CID 135393059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).