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

About 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

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 (PubChem CID 158702986) has the molecular formula C33H30F4N6 and a molecular weight of 586.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	158702986
Molecular Formula	C33H30F4N6
Molecular Weight	586.64 g/mol
Exact Mass	586.25
IUPAC Name	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
SMILES	FC1(F)C2CN(c3cccc(N=C(c4ccccc4)c4ccccc4)n3)CC21.Nc1cccc(N2CC3C(C2)C3(F)F)n1
InChI	InChI=1S/C23H19F2N3.C10H11F2N3/c24-23(25)18-14-28(15-19(18)23)21-13-7-12-20(26-21)27-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17;11-10(12)6-4-15(5-7(6)10)9-3-1-2-8(13)14-9/h1-13,18-19H,14-15H2;1-3,6-7H,4-5H2,(H2,13,14)
InChIKey	IHTVMUHGEFQSRS-UHFFFAOYSA-N
XLogP	6.32
TPSA	70.64 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.64
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is FC1(F)C2CN(c3cccc(N=C(c4ccccc4)c4ccccc4)n3)CC21.Nc1cccc(N2CC3C(C2)C3(F)F)n1.

What is the InChIKey of 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?

The InChIKey is IHTVMUHGEFQSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3.C10H11F2N3/c24-23(25)18-14-28(15-19(18)23)21-13-7-12-20(26-21)27-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17;11-10(12)6-4-15(5-7(6)10)9-3-1-2-8(13)14-9/h1-13,18-19H,14-15H2;1-3,6-7H,4-5H2,(H2,13,14).

What are the key properties of 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?

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 has a molecular weight of 586.64 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158702986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).