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

C35H41ClN6O — CID 159101153

IUPAC6-(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
SMILESCCO.Cl.Nc1cccc(N2CC3CC3C2)n1.c1ccc(C(=Nc2cccc(N3CC4CC4C3)n2)c2ccccc2)cc1
InChIInChI=1S/C23H21N3.C10H13N3.C2H6O.ClH/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;11-9-2-1-3-10(12-9)13-5-7-4-8(7)6-13;1-2-3;/h1-13,19-20H,14-16H2;1-3,7-8H,4-6H2,(H2,11,12);3H,2H2,1H3;1H
InChIKeyZCRNKPJRTZZACZ-UHFFFAOYSA-N
MW597.21 g/mol
LogP6.25
Rot. Bonds5

About 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

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 (PubChem CID 159101153) has the molecular formula C35H41ClN6O and a molecular weight of 597.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID159101153
Molecular FormulaC35H41ClN6O
Molecular Weight597.21 g/mol
Exact Mass596.30
IUPAC Name6-(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
SMILESCCO.Cl.Nc1cccc(N2CC3CC3C2)n1.c1ccc(C(=Nc2cccc(N3CC4CC4C3)n2)c2ccccc2)cc1
InChIInChI=1S/C23H21N3.C10H13N3.C2H6O.ClH/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;11-9-2-1-3-10(12-9)13-5-7-4-8(7)6-13;1-2-3;/h1-13,19-20H,14-16H2;1-3,7-8H,4-6H2,(H2,11,12);3H,2H2,1H3;1H
InChIKeyZCRNKPJRTZZACZ-UHFFFAOYSA-N
XLogP6.25
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.21
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine;ethanol;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine
CID 160922648
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
4-[2-[3-[2-(2-Amino-6-methyl-4-pyridinyl)ethyl]phenyl]ethyl]-6-methylpyridin-2-amine;2-(2,5-dimethylpyrrol-1-yl)-4-[2-[3-[2-[2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4-pyridinyl]ethyl]phenyl]ethyl]-6-methylpyridine
CID 158674297
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCO.Cl.Nc1cccc(N2CC3CC3C2)n1.c1ccc(C(=Nc2cccc(N3CC4CC4C3)n2)c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is ZCRNKPJRTZZACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3.C10H13N3.C2H6O.ClH/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;11-9-2-1-3-10(12-9)13-5-7-4-8(7)6-13;1-2-3;/h1-13,19-20H,14-16H2;1-3,7-8H,4-6H2,(H2,11,12);3H,2H2,1H3;1H.
What are the key properties of 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?
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 has a molecular weight of 597.21 g/mol, XLogP of 6.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159101153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).