9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane

C11H19NO2 — CID 59731842

IUPAC9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane
SMILESC1CNC2(C1)CCC1(CC2)OCCO1
InChIInChI=1S/C11H19NO2/c1-2-10(12-7-1)3-5-11(6-4-10)13-8-9-14-11/h12H,1-9H2
InChIKeyVFDUBLVHVCAVHJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.43
Rot. Bonds

About 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane

9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane (PubChem CID 59731842) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane.

Molecular Properties

Compound Name9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane
PubChem CID59731842
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane
SMILESC1CNC2(C1)CCC1(CC2)OCCO1
InChIInChI=1S/C11H19NO2/c1-2-10(12-7-1)3-5-11(6-4-10)13-8-9-14-11/h12H,1-9H2
InChIKeyVFDUBLVHVCAVHJ-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane?
The IUPAC name of 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane (CID 59731842) is 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane.
What is the SMILES notation for 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane?
The canonical SMILES for 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane is C1CNC2(C1)CCC1(CC2)OCCO1.
What is the InChIKey of 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane?
The InChIKey is VFDUBLVHVCAVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-10(12-7-1)3-5-11(6-4-10)13-8-9-14-11/h12H,1-9H2.
What are the key properties of 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane?
9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane has a molecular weight of 197.28 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane is sourced from PubChem (CID 59731842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).