3,9-diazaspiro[5.5]undecane;dihydrochloride

C9H20Cl2N2 — CID 126806115

IUPAC3,9-diazaspiro[5.5]undecane;dihydrochloride
SMILESC1CC2(CCN1)CCNCC2.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-5-10-6-2-9(1)3-7-11-8-4-9;;/h10-11H,1-8H2;2*1H
InChIKeyFLHSFTYZKYPXGT-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.58
Rot. Bonds

About 3,9-diazaspiro[5.5]undecane;dihydrochloride

3,9-diazaspiro[5.5]undecane;dihydrochloride (PubChem CID 126806115) has the molecular formula C9H20Cl2N2 and a molecular weight of 227.18 g/mol. Its IUPAC name is 3,9-diazaspiro[5.5]undecane;dihydrochloride.

Molecular Properties

Compound Name3,9-diazaspiro[5.5]undecane;dihydrochloride
PubChem CID126806115
Molecular FormulaC9H20Cl2N2
Molecular Weight227.18 g/mol
Exact Mass226.10
IUPAC Name3,9-diazaspiro[5.5]undecane;dihydrochloride
SMILESC1CC2(CCN1)CCNCC2.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-5-10-6-2-9(1)3-7-11-8-4-9;;/h10-11H,1-8H2;2*1H
InChIKeyFLHSFTYZKYPXGT-UHFFFAOYSA-N
XLogP1.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,9-diazaspiro[5.5]undecane;dihydrochloride?
The IUPAC name of 3,9-diazaspiro[5.5]undecane;dihydrochloride (CID 126806115) is 3,9-diazaspiro[5.5]undecane;dihydrochloride.
What is the SMILES notation for 3,9-diazaspiro[5.5]undecane;dihydrochloride?
The canonical SMILES for 3,9-diazaspiro[5.5]undecane;dihydrochloride is C1CC2(CCN1)CCNCC2.Cl.Cl.
What is the InChIKey of 3,9-diazaspiro[5.5]undecane;dihydrochloride?
The InChIKey is FLHSFTYZKYPXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.2ClH/c1-5-10-6-2-9(1)3-7-11-8-4-9;;/h10-11H,1-8H2;2*1H.
What are the key properties of 3,9-diazaspiro[5.5]undecane;dihydrochloride?
3,9-diazaspiro[5.5]undecane;dihydrochloride has a molecular weight of 227.18 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazaspiro[5.5]undecane;dihydrochloride is sourced from PubChem (CID 126806115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).