3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane

C20H36N2 — CID 123835848

IUPAC3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane
SMILESC1CCC2(C1)CCCC(C1CCC3(CCNCNC3)C1)CC2
InChIInChI=1S/C20H36N2/c1-2-8-19(7-1)9-3-4-17(5-10-19)18-6-11-20(14-18)12-13-21-16-22-15-20/h17-18,21-22H,1-16H2
InChIKeyUYNDDAYSMUGBFS-UHFFFAOYSA-N
MW304.52 g/mol
LogP4.45
Rot. Bonds1

About 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane

3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane (PubChem CID 123835848) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane
PubChem CID123835848
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane
SMILESC1CCC2(C1)CCCC(C1CCC3(CCNCNC3)C1)CC2
InChIInChI=1S/C20H36N2/c1-2-8-19(7-1)9-3-4-17(5-10-19)18-6-11-20(14-18)12-13-21-16-22-15-20/h17-18,21-22H,1-16H2
InChIKeyUYNDDAYSMUGBFS-UHFFFAOYSA-N
XLogP4.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane?
The IUPAC name of 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane (CID 123835848) is 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane.
What is the SMILES notation for 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane?
The canonical SMILES for 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane is C1CCC2(C1)CCCC(C1CCC3(CCNCNC3)C1)CC2.
What is the InChIKey of 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane?
The InChIKey is UYNDDAYSMUGBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-2-8-19(7-1)9-3-4-17(5-10-19)18-6-11-20(14-18)12-13-21-16-22-15-20/h17-18,21-22H,1-16H2.
What are the key properties of 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane?
3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane has a molecular weight of 304.52 g/mol, XLogP of 4.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane is sourced from PubChem (CID 123835848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).