6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride

C7H16Cl2N2 — CID 122360940

IUPAC6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride
SMILESCN1CCC2(CNC2)C1.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-9-3-2-7(6-9)4-8-5-7;;/h8H,2-6H2,1H3;2*1H
InChIKeyWEBNAXUEZUSVIY-UHFFFAOYSA-N
MW199.12 g/mol
LogP0.76
Rot. Bonds

About 6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride

6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride (PubChem CID 122360940) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is 6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride.

Molecular Properties

Compound Name6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride
PubChem CID122360940
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Name6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride
SMILESCN1CCC2(CNC2)C1.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-9-3-2-7(6-9)4-8-5-7;;/h8H,2-6H2,1H3;2*1H
InChIKeyWEBNAXUEZUSVIY-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride?
The IUPAC name of 6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride (CID 122360940) is 6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride.
What is the SMILES notation for 6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride?
The canonical SMILES for 6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride is CN1CCC2(CNC2)C1.Cl.Cl.
What is the InChIKey of 6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride?
The InChIKey is WEBNAXUEZUSVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.2ClH/c1-9-3-2-7(6-9)4-8-5-7;;/h8H,2-6H2,1H3;2*1H.
What are the key properties of 6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride?
6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride has a molecular weight of 199.12 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,6-diazaspiro[3.4]octane;dihydrochloride is sourced from PubChem (CID 122360940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).