3,9-diazaspiro[5.5]undecane

C9H18N2 — CID 22291191

IUPAC3,9-diazaspiro[5.5]undecane
SMILESC1CC2(CCN1)CCNCC2
InChIInChI=1S/C9H18N2/c1-5-10-6-2-9(1)3-7-11-8-4-9/h10-11H,1-8H2
InChIKeyYNKVCLQNSSTHTD-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.74
Rot. Bonds

About 3,9-diazaspiro[5.5]undecane

3,9-diazaspiro[5.5]undecane (PubChem CID 22291191) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-diazaspiro[5.5]undecane
PubChem CID22291191
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3,9-diazaspiro[5.5]undecane
SMILESC1CC2(CCN1)CCNCC2
InChIInChI=1S/C9H18N2/c1-5-10-6-2-9(1)3-7-11-8-4-9/h10-11H,1-8H2
InChIKeyYNKVCLQNSSTHTD-UHFFFAOYSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.74
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?
The IUPAC name of 3,9-diazaspiro[5.5]undecane (CID 22291191) is 3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3,9-diazaspiro[5.5]undecane is C1CC2(CCN1)CCNCC2.
What is the InChIKey of 3,9-diazaspiro[5.5]undecane?
The InChIKey is YNKVCLQNSSTHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-10-6-2-9(1)3-7-11-8-4-9/h10-11H,1-8H2.
What are the key properties of 3,9-diazaspiro[5.5]undecane?
3,9-diazaspiro[5.5]undecane has a molecular weight of 154.26 g/mol, XLogP of 0.74, 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 is sourced from PubChem (CID 22291191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).