3-ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane

C16H24N2O — CID 14367999

IUPAC3-ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane
SMILESCCN1CC2CN(C)CC(C1)C2Oc1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-18-11-13-9-17(2)10-14(12-18)16(13)19-15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12H2,1-2H3
InChIKeySFJMCJVOGUBHST-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.95
Rot. Bonds3

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

3-ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 14367999) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane
PubChem CID14367999
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane
SMILESCCN1CC2CN(C)CC(C1)C2Oc1ccccc1
InChIInChI=1S/C16H24N2O/c1-3-18-11-13-9-17(2)10-14(12-18)16(13)19-15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12H2,1-2H3
InChIKeySFJMCJVOGUBHST-UHFFFAOYSA-N
XLogP1.95
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3-ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane (CID 14367999) is 3-ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3-ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane is CCN1CC2CN(C)CC(C1)C2Oc1ccccc1.
What is the InChIKey of 3-ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is SFJMCJVOGUBHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-18-11-13-9-17(2)10-14(12-18)16(13)19-15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12H2,1-2H3.
What are the key properties of 3-ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane?
3-ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 260.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-9-phenoxy-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 14367999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).