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

C47H47BrN6 — CID 158766215

IUPACN-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine;methane
SMILESBrc1cccc(N2CC3CC3C2)n1.C.[H]N=C(c1ccccc1)c1ccccc1.c1ccc(C(=Nc2cccc(N3CC4CC4C3)n2)c2ccccc2)cc1
InChIInChI=1S/C23H21N3.C13H11N.C10H11BrN2.CH4/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;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;11-9-2-1-3-10(12-9)13-5-7-4-8(7)6-13;/h1-13,19-20H,14-16H2;1-10,14H;1-3,7-8H,4-6H2;1H4
InChIKeyIPHGNEUESSEKCP-UHFFFAOYSA-N
MW775.84 g/mol
LogP10.75
Rot. Bonds7

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

N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine;methane (PubChem CID 158766215) has the molecular formula C47H47BrN6 and a molecular weight of 775.84 g/mol. Its IUPAC name is N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine;methane.

Molecular Properties

Compound NameN-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine;methane
PubChem CID158766215
Molecular FormulaC47H47BrN6
Molecular Weight775.84 g/mol
Exact Mass774.30
IUPAC NameN-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine;methane
SMILESBrc1cccc(N2CC3CC3C2)n1.C.[H]N=C(c1ccccc1)c1ccccc1.c1ccc(C(=Nc2cccc(N3CC4CC4C3)n2)c2ccccc2)cc1
InChIInChI=1S/C23H21N3.C13H11N.C10H11BrN2.CH4/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;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;11-9-2-1-3-10(12-9)13-5-7-4-8(7)6-13;/h1-13,19-20H,14-16H2;1-10,14H;1-3,7-8H,4-6H2;1H4
InChIKeyIPHGNEUESSEKCP-UHFFFAOYSA-N
XLogP10.75
TPSA68.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.84
LogP ≤ 510.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine;methane with MolForge

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Related Compounds

1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine;diphenylmethanimine;1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine
CID 157538871
6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridin-2-amine;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine
CID 158702986
6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyridin-2-amine;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;methane
CID 159786209
3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine
CID 160339642
3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane
CID 162206047
1-Benzhydryl-2,3-dihydropyrrolo[2,3-b]pyridine;2-(2-bromo-3-pyridinyl)ethanamine;diphenylmethanimine
CID 157194095
aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine
CID 157769378
aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine
CID 158048630
N-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine
CID 158759465
6-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-2-amine;N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;ethanol;hydrochloride
CID 159101153
1-Benzhydryl-2,3-dihydropyrrolo[2,3-b]pyridine;2-(2-bromo-3-pyridinyl)ethanamine;diphenylmethanimine;methane
CID 160296492
N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine
CID 161876694

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine;methane?
The IUPAC name of N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine;methane (CID 158766215) is N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine;methane.
What is the SMILES notation for N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine;methane?
The canonical SMILES for N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine;methane is Brc1cccc(N2CC3CC3C2)n1.C.[H]N=C(c1ccccc1)c1ccccc1.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;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine;methane?
The InChIKey is IPHGNEUESSEKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3.C13H11N.C10H11BrN2.CH4/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;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;11-9-2-1-3-10(12-9)13-5-7-4-8(7)6-13;/h1-13,19-20H,14-16H2;1-10,14H;1-3,7-8H,4-6H2;1H4.
What are the key properties of N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine;methane?
N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine;methane has a molecular weight of 775.84 g/mol, XLogP of 10.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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;3-(6-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;diphenylmethanimine;methane is sourced from PubChem (CID 158766215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).