8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine

C15H20N2O — CID 46881758

IUPAC8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN1C2CCC1CC(=NOCc1ccccc1)C2
InChIInChI=1S/C15H20N2O/c1-17-14-7-8-15(17)10-13(9-14)16-18-11-12-5-3-2-4-6-12/h2-6,14-15H,7-11H2,1H3
InChIKeyVTNOZEZJNIVGAV-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.82
Rot. Bonds3

About 8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine

8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine (PubChem CID 46881758) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine.

Molecular Properties

Compound Name8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine
PubChem CID46881758
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN1C2CCC1CC(=NOCc1ccccc1)C2
InChIInChI=1S/C15H20N2O/c1-17-14-7-8-15(17)10-13(9-14)16-18-11-12-5-3-2-4-6-12/h2-6,14-15H,7-11H2,1H3
InChIKeyVTNOZEZJNIVGAV-UHFFFAOYSA-N
XLogP2.82
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine?
The IUPAC name of 8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine (CID 46881758) is 8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine.
What is the SMILES notation for 8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine?
The canonical SMILES for 8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine is CN1C2CCC1CC(=NOCc1ccccc1)C2.
What is the InChIKey of 8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine?
The InChIKey is VTNOZEZJNIVGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-14-7-8-15(17)10-13(9-14)16-18-11-12-5-3-2-4-6-12/h2-6,14-15H,7-11H2,1H3.
What are the key properties of 8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine?
8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine has a molecular weight of 244.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-imine is sourced from PubChem (CID 46881758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).