2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride

C6H14Cl2N2O — CID 91927739

IUPAC2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride
SMILESC1CNC2(CN1)COC2.Cl.Cl
InChIInChI=1S/C6H12N2O.2ClH/c1-2-8-6(3-7-1)4-9-5-6;;/h7-8H,1-5H2;2*1H
InChIKeyGUNILDKOUAISEN-UHFFFAOYSA-N
MW201.10 g/mol
LogP-0.21
Rot. Bonds

About 2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride

2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride (PubChem CID 91927739) has the molecular formula C6H14Cl2N2O and a molecular weight of 201.10 g/mol. Its IUPAC name is 2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride.

Molecular Properties

Compound Name2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride
PubChem CID91927739
Molecular FormulaC6H14Cl2N2O
Molecular Weight201.10 g/mol
Exact Mass200.05
IUPAC Name2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride
SMILESC1CNC2(CN1)COC2.Cl.Cl
InChIInChI=1S/C6H12N2O.2ClH/c1-2-8-6(3-7-1)4-9-5-6;;/h7-8H,1-5H2;2*1H
InChIKeyGUNILDKOUAISEN-UHFFFAOYSA-N
XLogP-0.21
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride?
The IUPAC name of 2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride (CID 91927739) is 2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride.
What is the SMILES notation for 2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride?
The canonical SMILES for 2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride is C1CNC2(CN1)COC2.Cl.Cl.
What is the InChIKey of 2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride?
The InChIKey is GUNILDKOUAISEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.2ClH/c1-2-8-6(3-7-1)4-9-5-6;;/h7-8H,1-5H2;2*1H.
What are the key properties of 2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride?
2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride has a molecular weight of 201.10 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5,8-diazaspiro[3.5]nonane;dihydrochloride is sourced from PubChem (CID 91927739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).