2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane

C14H28N2O — CID 170939545

IUPAC2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane
SMILESCC(C)(C)N1COCC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C14H28N2O/c1-12(2,3)15-7-14(8-15)9-16(11-17-10-14)13(4,5)6/h7-11H2,1-6H3
InChIKeyYRZOBEXHXOSFBM-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.18
Rot. Bonds

About 2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane

2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane (PubChem CID 170939545) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane
PubChem CID170939545
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane
SMILESCC(C)(C)N1COCC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C14H28N2O/c1-12(2,3)15-7-14(8-15)9-16(11-17-10-14)13(4,5)6/h7-11H2,1-6H3
InChIKeyYRZOBEXHXOSFBM-UHFFFAOYSA-N
XLogP2.18
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane?
The IUPAC name of 2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane (CID 170939545) is 2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for 2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane is CC(C)(C)N1COCC2(C1)CN(C(C)(C)C)C2.
What is the InChIKey of 2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane?
The InChIKey is YRZOBEXHXOSFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2,3)15-7-14(8-15)9-16(11-17-10-14)13(4,5)6/h7-11H2,1-6H3.
What are the key properties of 2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane?
2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane has a molecular weight of 240.39 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 170939545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).