cesium;carbanide;4,7-diazaspiro[2.5]octane

C7H15CsN2 — CID 168976829

IUPACcesium;carbanide;4,7-diazaspiro[2.5]octane
SMILESC1CNC2(CC2)CN1.[CH3-].[Cs+]
InChIInChI=1S/C6H12N2.CH3.Cs/c1-2-6(1)5-7-3-4-8-6;;/h7-8H,1-5H2;1H3;/q;-1;+1
InChIKeyISJOGPZBULJJTI-UHFFFAOYSA-N
MW260.12 g/mol
LogP-2.83
Rot. Bonds

About cesium;carbanide;4,7-diazaspiro[2.5]octane

cesium;carbanide;4,7-diazaspiro[2.5]octane (PubChem CID 168976829) has the molecular formula C7H15CsN2 and a molecular weight of 260.12 g/mol. Its IUPAC name is cesium;carbanide;4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Namecesium;carbanide;4,7-diazaspiro[2.5]octane
PubChem CID168976829
Molecular FormulaC7H15CsN2
Molecular Weight260.12 g/mol
Exact Mass260.03
IUPAC Namecesium;carbanide;4,7-diazaspiro[2.5]octane
SMILESC1CNC2(CC2)CN1.[CH3-].[Cs+]
InChIInChI=1S/C6H12N2.CH3.Cs/c1-2-6(1)5-7-3-4-8-6;;/h7-8H,1-5H2;1H3;/q;-1;+1
InChIKeyISJOGPZBULJJTI-UHFFFAOYSA-N
XLogP-2.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 5-2.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-diazaspiro[5.6]dodecane
CID 51346047
9-oxa-1,4-diazaspiro[5.5]undecane
CID 57376974
(4R)-1,7-diazaspiro[3.4]octane
CID 97135320
(4S)-1,7-diazaspiro[3.4]octane
CID 97135321
1,4,8-triazaspiro[5.5]undecane
CID 57350918
1,5,8-triazaspiro[2.6]nonane
CID 23135285
1,6-diazaspiro[3.3]heptane
CID 21263412
1,6-diazaspiro[3.3]heptane;dihydrochloride
CID 175669593
1,8-diazaspiro[3.5]nonane;propane
CID 123647748
1,7-diazaspiro[3.4]octane;molecular hydrogen;propane
CID 171101355
4-azaspiro[2.5]octane
CID 20522183
10-spiro[5.5]undecan-4-yl-1,4-diazaspiro[5.5]undecane
CID 138751441

Frequently Asked Questions

What is the IUPAC name of cesium;carbanide;4,7-diazaspiro[2.5]octane?
The IUPAC name of cesium;carbanide;4,7-diazaspiro[2.5]octane (CID 168976829) is cesium;carbanide;4,7-diazaspiro[2.5]octane.
What is the SMILES notation for cesium;carbanide;4,7-diazaspiro[2.5]octane?
The canonical SMILES for cesium;carbanide;4,7-diazaspiro[2.5]octane is C1CNC2(CC2)CN1.[CH3-].[Cs+].
What is the InChIKey of cesium;carbanide;4,7-diazaspiro[2.5]octane?
The InChIKey is ISJOGPZBULJJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.CH3.Cs/c1-2-6(1)5-7-3-4-8-6;;/h7-8H,1-5H2;1H3;/q;-1;+1.
What are the key properties of cesium;carbanide;4,7-diazaspiro[2.5]octane?
cesium;carbanide;4,7-diazaspiro[2.5]octane has a molecular weight of 260.12 g/mol, XLogP of -2.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;carbanide;4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 168976829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).