2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane

C15H28N2O — CID 166097454

IUPAC2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane
SMILESC1CN(CC2CCOCC2)CC2(C1)CCNCC2
InChIInChI=1S/C15H28N2O/c1-4-15(5-7-16-8-6-15)13-17(9-1)12-14-2-10-18-11-3-14/h14,16H,1-13H2
InChIKeyNYTFCPOPAIWUHO-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.88
Rot. Bonds2

About 2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane

2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane (PubChem CID 166097454) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane
PubChem CID166097454
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane
SMILESC1CN(CC2CCOCC2)CC2(C1)CCNCC2
InChIInChI=1S/C15H28N2O/c1-4-15(5-7-16-8-6-15)13-17(9-1)12-14-2-10-18-11-3-14/h14,16H,1-13H2
InChIKeyNYTFCPOPAIWUHO-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane (CID 166097454) is 2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane is C1CN(CC2CCOCC2)CC2(C1)CCNCC2.
What is the InChIKey of 2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane?
The InChIKey is NYTFCPOPAIWUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-15(5-7-16-8-6-15)13-17(9-1)12-14-2-10-18-11-3-14/h14,16H,1-13H2.
What are the key properties of 2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane?
2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane has a molecular weight of 252.40 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 166097454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).