1,4,8-triazaspiro[5.5]undecane

C8H17N3 — CID 57350918

IUPAC1,4,8-triazaspiro[5.5]undecane
SMILESC1CNCC2(C1)CNCCN2
InChIInChI=1S/C8H17N3/c1-2-8(6-9-3-1)7-10-4-5-11-8/h9-11H,1-7H2
InChIKeyQCBIMALZSIQJGY-UHFFFAOYSA-N
MW155.24 g/mol
LogP-0.70
Rot. Bonds

About 1,4,8-triazaspiro[5.5]undecane

1,4,8-triazaspiro[5.5]undecane (PubChem CID 57350918) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 1,4,8-triazaspiro[5.5]undecane.

Molecular Properties

Compound Name1,4,8-triazaspiro[5.5]undecane
PubChem CID57350918
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name1,4,8-triazaspiro[5.5]undecane
SMILESC1CNCC2(C1)CNCCN2
InChIInChI=1S/C8H17N3/c1-2-8(6-9-3-1)7-10-4-5-11-8/h9-11H,1-7H2
InChIKeyQCBIMALZSIQJGY-UHFFFAOYSA-N
XLogP-0.70
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazaspiro[5.6]dodecane
CID 51346047
1,8-diazaspiro[3.5]nonane;propane
CID 123647748
cesium;carbanide;4,7-diazaspiro[2.5]octane
CID 168976829
1,6-diazaspiro[3.3]heptane
CID 21263412
2-oxa-5,8-diazaspiro[3.7]undecane
CID 118210062
1-azaspiro[4.5]decane
CID 9092
1,6-diazaspiro[3.3]heptane;dihydrochloride
CID 175669593
10-oxa-1,7-diazaspiro[4.6]undecane
CID 118210142
9-oxa-1,4-diazaspiro[5.5]undecane
CID 57376974
1,5,8-triazaspiro[2.6]nonane
CID 23135285
1,8-diazaspiro[5.5]undec-3-ene
CID 23282832
(4R)-1,7-diazaspiro[3.4]octane
CID 97135320

Frequently Asked Questions

What is the IUPAC name of 1,4,8-triazaspiro[5.5]undecane?
The IUPAC name of 1,4,8-triazaspiro[5.5]undecane (CID 57350918) is 1,4,8-triazaspiro[5.5]undecane.
What is the SMILES notation for 1,4,8-triazaspiro[5.5]undecane?
The canonical SMILES for 1,4,8-triazaspiro[5.5]undecane is C1CNCC2(C1)CNCCN2.
What is the InChIKey of 1,4,8-triazaspiro[5.5]undecane?
The InChIKey is QCBIMALZSIQJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-2-8(6-9-3-1)7-10-4-5-11-8/h9-11H,1-7H2.
What are the key properties of 1,4,8-triazaspiro[5.5]undecane?
1,4,8-triazaspiro[5.5]undecane has a molecular weight of 155.24 g/mol, XLogP of -0.70, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8-triazaspiro[5.5]undecane is sourced from PubChem (CID 57350918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).