N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine

C23H21N3 — CID 118961061

IUPACN-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine
SMILESc1ccc(C(=Nc2cccc(N3CC4CC4C3)n2)c2ccccc2)cc1
InChIInChI=1S/C23H21N3/c1-3-8-17(9-4-1)23(18-10-5-2-6-11-18)25-21-12-7-13-22(24-21)26-15-19-14-20(19)16-26/h1-13,19-20H,14-16H2
InChIKeyLKIIHAYCXPOLNR-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.71
Rot. Bonds4

About N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine

N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine (PubChem CID 118961061) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine
PubChem CID118961061
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC NameN-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine
SMILESc1ccc(C(=Nc2cccc(N3CC4CC4C3)n2)c2ccccc2)cc1
InChIInChI=1S/C23H21N3/c1-3-8-17(9-4-1)23(18-10-5-2-6-11-18)25-21-12-7-13-22(24-21)26-15-19-14-20(19)16-26/h1-13,19-20H,14-16H2
InChIKeyLKIIHAYCXPOLNR-UHFFFAOYSA-N
XLogP4.71
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine (CID 118961061) is N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine is c1ccc(C(=Nc2cccc(N3CC4CC4C3)n2)c2ccccc2)cc1.
What is the InChIKey of N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine?
The InChIKey is LKIIHAYCXPOLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c1-3-8-17(9-4-1)23(18-10-5-2-6-11-18)25-21-12-7-13-22(24-21)26-15-19-14-20(19)16-26/h1-13,19-20H,14-16H2.
What are the key properties of N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine?
N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine has a molecular weight of 339.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 118961061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).