1,2-diazaspiro[5.5]undecane

C18H36N4 — CID 158449609

IUPAC1,2-diazaspiro[5.5]undecane
SMILESC1CCC2(CC1)CCCNN2.C1CCC2(CC1)CCCNN2
InChIInChI=1S/2C9H18N2/c2*1-2-5-9(6-3-1)7-4-8-10-11-9/h2*10-11H,1-8H2
InChIKeyHDUXKWQOFDEPPY-UHFFFAOYSA-N
MW308.51 g/mol
LogP3.15
Rot. Bonds

About 1,2-diazaspiro[5.5]undecane

1,2-diazaspiro[5.5]undecane (PubChem CID 158449609) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1,2-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1,2-diazaspiro[5.5]undecane
PubChem CID158449609
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name1,2-diazaspiro[5.5]undecane
SMILESC1CCC2(CC1)CCCNN2.C1CCC2(CC1)CCCNN2
InChIInChI=1S/2C9H18N2/c2*1-2-5-9(6-3-1)7-4-8-10-11-9/h2*10-11H,1-8H2
InChIKeyHDUXKWQOFDEPPY-UHFFFAOYSA-N
XLogP3.15
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-diazaspiro[5.5]undecane?
The IUPAC name of 1,2-diazaspiro[5.5]undecane (CID 158449609) is 1,2-diazaspiro[5.5]undecane.
What is the SMILES notation for 1,2-diazaspiro[5.5]undecane?
The canonical SMILES for 1,2-diazaspiro[5.5]undecane is C1CCC2(CC1)CCCNN2.C1CCC2(CC1)CCCNN2.
What is the InChIKey of 1,2-diazaspiro[5.5]undecane?
The InChIKey is HDUXKWQOFDEPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2/c2*1-2-5-9(6-3-1)7-4-8-10-11-9/h2*10-11H,1-8H2.
What are the key properties of 1,2-diazaspiro[5.5]undecane?
1,2-diazaspiro[5.5]undecane has a molecular weight of 308.51 g/mol, XLogP of 3.15, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diazaspiro[5.5]undecane is sourced from PubChem (CID 158449609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).