7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane

C15H29NO — CID 166559685

IUPAC7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane
SMILESCC(C)(C)C1C2COCC1CN(C(C)(C)C)C2
InChIInChI=1S/C15H29NO/c1-14(2,3)13-11-7-16(15(4,5)6)8-12(13)10-17-9-11/h11-13H,7-10H2,1-6H3
InChIKeyLFGFTOSDTUYCRL-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.03
Rot. Bonds

About 7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane

7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane (PubChem CID 166559685) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane
PubChem CID166559685
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane
SMILESCC(C)(C)C1C2COCC1CN(C(C)(C)C)C2
InChIInChI=1S/C15H29NO/c1-14(2,3)13-11-7-16(15(4,5)6)8-12(13)10-17-9-11/h11-13H,7-10H2,1-6H3
InChIKeyLFGFTOSDTUYCRL-UHFFFAOYSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane?
The IUPAC name of 7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane (CID 166559685) is 7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane?
The canonical SMILES for 7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane is CC(C)(C)C1C2COCC1CN(C(C)(C)C)C2.
What is the InChIKey of 7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane?
The InChIKey is LFGFTOSDTUYCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)13-11-7-16(15(4,5)6)8-12(13)10-17-9-11/h11-13H,7-10H2,1-6H3.
What are the key properties of 7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane?
7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane has a molecular weight of 239.40 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 166559685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).