2,8-diazaspiro[5.5]undec-3-ene

C9H16N2 — CID 23135350

IUPAC2,8-diazaspiro[5.5]undec-3-ene
SMILESC1=CNCC2(C1)CCCNC2
InChIInChI=1S/C9H16N2/c1-3-9(7-10-5-1)4-2-6-11-8-9/h1,5,10-11H,2-4,6-8H2
InChIKeyCQPBSQJALBNNRV-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.86
Rot. Bonds

About 2,8-diazaspiro[5.5]undec-3-ene

2,8-diazaspiro[5.5]undec-3-ene (PubChem CID 23135350) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undec-3-ene.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undec-3-ene
PubChem CID23135350
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,8-diazaspiro[5.5]undec-3-ene
SMILESC1=CNCC2(C1)CCCNC2
InChIInChI=1S/C9H16N2/c1-3-9(7-10-5-1)4-2-6-11-8-9/h1,5,10-11H,2-4,6-8H2
InChIKeyCQPBSQJALBNNRV-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 2,8-diazaspiro[5.5]undec-3-ene?
The IUPAC name of 2,8-diazaspiro[5.5]undec-3-ene (CID 23135350) is 2,8-diazaspiro[5.5]undec-3-ene.
What is the SMILES notation for 2,8-diazaspiro[5.5]undec-3-ene?
The canonical SMILES for 2,8-diazaspiro[5.5]undec-3-ene is C1=CNCC2(C1)CCCNC2.
What is the InChIKey of 2,8-diazaspiro[5.5]undec-3-ene?
The InChIKey is CQPBSQJALBNNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-9(7-10-5-1)4-2-6-11-8-9/h1,5,10-11H,2-4,6-8H2.
What are the key properties of 2,8-diazaspiro[5.5]undec-3-ene?
2,8-diazaspiro[5.5]undec-3-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 2,8-diazaspiro[5.5]undec-3-ene is sourced from PubChem (CID 23135350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).