N-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine

C23H28N2O — CID 71590609

IUPACN-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine
SMILESCON=C1C2CCCC1C(c1ccc(C)cc1)NC2c1ccc(C)cc1
InChIInChI=1S/C23H28N2O/c1-15-7-11-17(12-8-15)21-19-5-4-6-20(23(19)25-26-3)22(24-21)18-13-9-16(2)10-14-18/h7-14,19-22,24H,4-6H2,1-3H3
InChIKeyLGYSKXWHZCKAOT-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.11
Rot. Bonds3

About N-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine

N-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine (PubChem CID 71590609) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine.

Molecular Properties

Compound NameN-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine
PubChem CID71590609
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine
SMILESCON=C1C2CCCC1C(c1ccc(C)cc1)NC2c1ccc(C)cc1
InChIInChI=1S/C23H28N2O/c1-15-7-11-17(12-8-15)21-19-5-4-6-20(23(19)25-26-3)22(24-21)18-13-9-16(2)10-14-18/h7-14,19-22,24H,4-6H2,1-3H3
InChIKeyLGYSKXWHZCKAOT-UHFFFAOYSA-N
XLogP5.11
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
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 N-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine?
The IUPAC name of N-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine (CID 71590609) is N-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine.
What is the SMILES notation for N-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine?
The canonical SMILES for N-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine is CON=C1C2CCCC1C(c1ccc(C)cc1)NC2c1ccc(C)cc1.
What is the InChIKey of N-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine?
The InChIKey is LGYSKXWHZCKAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-15-7-11-17(12-8-15)21-19-5-4-6-20(23(19)25-26-3)22(24-21)18-13-9-16(2)10-14-18/h7-14,19-22,24H,4-6H2,1-3H3.
What are the key properties of N-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine?
N-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine has a molecular weight of 348.49 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,4-bis(4-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-imine is sourced from PubChem (CID 71590609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).