1,9-diazaspiro[5.5]undec-3-ene

C9H16N2 — CID 54156271

IUPAC1,9-diazaspiro[5.5]undec-3-ene
SMILESC1=CCC2(CCNCC2)NC1
InChIInChI=1S/C9H16N2/c1-2-6-11-9(3-1)4-7-10-8-5-9/h1-2,10-11H,3-8H2
InChIKeyIXYLITZCIPWSPD-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.66
Rot. Bonds

About 1,9-diazaspiro[5.5]undec-3-ene

1,9-diazaspiro[5.5]undec-3-ene (PubChem CID 54156271) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,9-diazaspiro[5.5]undec-3-ene.

Molecular Properties

Compound Name1,9-diazaspiro[5.5]undec-3-ene
PubChem CID54156271
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,9-diazaspiro[5.5]undec-3-ene
SMILESC1=CCC2(CCNCC2)NC1
InChIInChI=1S/C9H16N2/c1-2-6-11-9(3-1)4-7-10-8-5-9/h1-2,10-11H,3-8H2
InChIKeyIXYLITZCIPWSPD-UHFFFAOYSA-N
XLogP0.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,9-diazaspiro[5.5]undec-3-ene?
The IUPAC name of 1,9-diazaspiro[5.5]undec-3-ene (CID 54156271) is 1,9-diazaspiro[5.5]undec-3-ene.
What is the SMILES notation for 1,9-diazaspiro[5.5]undec-3-ene?
The canonical SMILES for 1,9-diazaspiro[5.5]undec-3-ene is C1=CCC2(CCNCC2)NC1.
What is the InChIKey of 1,9-diazaspiro[5.5]undec-3-ene?
The InChIKey is IXYLITZCIPWSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-6-11-9(3-1)4-7-10-8-5-9/h1-2,10-11H,3-8H2.
What are the key properties of 1,9-diazaspiro[5.5]undec-3-ene?
1,9-diazaspiro[5.5]undec-3-ene has a molecular weight of 152.24 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-diazaspiro[5.5]undec-3-ene is sourced from PubChem (CID 54156271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).