2,9-diazaspiro[5.5]undec-10-ene

C9H16N2 — CID 166869868

IUPAC2,9-diazaspiro[5.5]undec-10-ene
SMILESC1=CC2(CCCNC2)CCN1
InChIInChI=1S/C9H16N2/c1-2-9(8-11-5-1)3-6-10-7-4-9/h3,6,10-11H,1-2,4-5,7-8H2
InChIKeyLXTDDENJTBRLQF-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.86
Rot. Bonds

About 2,9-diazaspiro[5.5]undec-10-ene

2,9-diazaspiro[5.5]undec-10-ene (PubChem CID 166869868) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,9-diazaspiro[5.5]undec-10-ene.

Molecular Properties

Compound Name2,9-diazaspiro[5.5]undec-10-ene
PubChem CID166869868
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,9-diazaspiro[5.5]undec-10-ene
SMILESC1=CC2(CCCNC2)CCN1
InChIInChI=1S/C9H16N2/c1-2-9(8-11-5-1)3-6-10-7-4-9/h3,6,10-11H,1-2,4-5,7-8H2
InChIKeyLXTDDENJTBRLQF-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,9-diazaspiro[5.5]undec-10-ene?
The IUPAC name of 2,9-diazaspiro[5.5]undec-10-ene (CID 166869868) is 2,9-diazaspiro[5.5]undec-10-ene.
What is the SMILES notation for 2,9-diazaspiro[5.5]undec-10-ene?
The canonical SMILES for 2,9-diazaspiro[5.5]undec-10-ene is C1=CC2(CCCNC2)CCN1.
What is the InChIKey of 2,9-diazaspiro[5.5]undec-10-ene?
The InChIKey is LXTDDENJTBRLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-9(8-11-5-1)3-6-10-7-4-9/h3,6,10-11H,1-2,4-5,7-8H2.
What are the key properties of 2,9-diazaspiro[5.5]undec-10-ene?
2,9-diazaspiro[5.5]undec-10-ene has a molecular weight of 152.24 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazaspiro[5.5]undec-10-ene is sourced from PubChem (CID 166869868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).