3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane

C15H22N2O — CID 14367989

IUPAC3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane
SMILESCN1CC2CN(C)CC(C1)C2Oc1ccccc1
InChIInChI=1S/C15H22N2O/c1-16-8-12-10-17(2)11-13(9-16)15(12)18-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyZVEKSHODTOFEIR-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.56
Rot. Bonds2

About 3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane

3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 14367989) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane
PubChem CID14367989
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane
SMILESCN1CC2CN(C)CC(C1)C2Oc1ccccc1
InChIInChI=1S/C15H22N2O/c1-16-8-12-10-17(2)11-13(9-16)15(12)18-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyZVEKSHODTOFEIR-UHFFFAOYSA-N
XLogP1.56
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Cambridge id 7334436
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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane (CID 14367989) is 3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane is CN1CC2CN(C)CC(C1)C2Oc1ccccc1.
What is the InChIKey of 3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is ZVEKSHODTOFEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-8-12-10-17(2)11-13(9-16)15(12)18-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3.
What are the key properties of 3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane?
3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 246.35 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 14367989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).