2,5,9-triazaspiro[6.6]tridecane

C10H21N3 — CID 57439955

IUPAC2,5,9-triazaspiro[6.6]tridecane
SMILESC1CCC2(CNC1)CNCCNC2
InChIInChI=1S/C10H21N3/c1-2-4-11-7-10(3-1)8-12-5-6-13-9-10/h11-13H,1-9H2
InChIKeyWBGQHOWISLAEPB-UHFFFAOYSA-N
MW183.30 g/mol
LogP-0.06
Rot. Bonds

About 2,5,9-triazaspiro[6.6]tridecane

2,5,9-triazaspiro[6.6]tridecane (PubChem CID 57439955) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2,5,9-triazaspiro[6.6]tridecane.

Molecular Properties

Compound Name2,5,9-triazaspiro[6.6]tridecane
PubChem CID57439955
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2,5,9-triazaspiro[6.6]tridecane
SMILESC1CCC2(CNC1)CNCCNC2
InChIInChI=1S/C10H21N3/c1-2-4-11-7-10(3-1)8-12-5-6-13-9-10/h11-13H,1-9H2
InChIKeyWBGQHOWISLAEPB-UHFFFAOYSA-N
XLogP-0.06
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,9-triazaspiro[6.6]tridecane?
The IUPAC name of 2,5,9-triazaspiro[6.6]tridecane (CID 57439955) is 2,5,9-triazaspiro[6.6]tridecane.
What is the SMILES notation for 2,5,9-triazaspiro[6.6]tridecane?
The canonical SMILES for 2,5,9-triazaspiro[6.6]tridecane is C1CCC2(CNC1)CNCCNC2.
What is the InChIKey of 2,5,9-triazaspiro[6.6]tridecane?
The InChIKey is WBGQHOWISLAEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-2-4-11-7-10(3-1)8-12-5-6-13-9-10/h11-13H,1-9H2.
What are the key properties of 2,5,9-triazaspiro[6.6]tridecane?
2,5,9-triazaspiro[6.6]tridecane has a molecular weight of 183.30 g/mol, XLogP of -0.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,9-triazaspiro[6.6]tridecane is sourced from PubChem (CID 57439955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).