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

C23H28N2O3 — CID 71590549

IUPACN-methoxy-2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-imine
SMILESCON=C1C2CCCC1C(c1ccc(OC)cc1)NC2c1ccc(OC)cc1
InChIInChI=1S/C23H28N2O3/c1-26-17-11-7-15(8-12-17)21-19-5-4-6-20(23(19)25-28-3)22(24-21)16-9-13-18(27-2)14-10-16/h7-14,19-22,24H,4-6H2,1-3H3
InChIKeyWOLDNMUMRBLILQ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.51
Rot. Bonds5

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

N-methoxy-2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-imine (PubChem CID 71590549) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-methoxy-2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-imine.

Molecular Properties

Compound NameN-methoxy-2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-imine
PubChem CID71590549
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-methoxy-2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-imine
SMILESCON=C1C2CCCC1C(c1ccc(OC)cc1)NC2c1ccc(OC)cc1
InChIInChI=1S/C23H28N2O3/c1-26-17-11-7-15(8-12-17)21-19-5-4-6-20(23(19)25-28-3)22(24-21)16-9-13-18(27-2)14-10-16/h7-14,19-22,24H,4-6H2,1-3H3
InChIKeyWOLDNMUMRBLILQ-UHFFFAOYSA-N
XLogP4.51
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-imine?
The IUPAC name of N-methoxy-2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-imine (CID 71590549) is N-methoxy-2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-imine.
What is the SMILES notation for N-methoxy-2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-imine?
The canonical SMILES for N-methoxy-2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-imine is CON=C1C2CCCC1C(c1ccc(OC)cc1)NC2c1ccc(OC)cc1.
What is the InChIKey of N-methoxy-2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-imine?
The InChIKey is WOLDNMUMRBLILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-26-17-11-7-15(8-12-17)21-19-5-4-6-20(23(19)25-28-3)22(24-21)16-9-13-18(27-2)14-10-16/h7-14,19-22,24H,4-6H2,1-3H3.
What are the key properties of N-methoxy-2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-imine?
N-methoxy-2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-imine has a molecular weight of 380.49 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-imine is sourced from PubChem (CID 71590549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).