1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine

C20H18Cl4N2 — CID 4866472

IUPAC1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine
SMILESClc1cccc(Cl)c1/C=N/C1CCCCC1/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C20H18Cl4N2/c21-15-5-3-6-16(22)13(15)11-25-19-9-1-2-10-20(19)26-12-14-17(23)7-4-8-18(14)24/h3-8,11-12,19-20H,1-2,9-10H2/b25-11+,26-12+
InChIKeyGWVMFOHLFMAOMJ-KOZSXFMUSA-N
MW428.19 g/mol
LogP7.15
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine

1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine (PubChem CID 4866472) has the molecular formula C20H18Cl4N2 and a molecular weight of 428.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine
PubChem CID4866472
Molecular FormulaC20H18Cl4N2
Molecular Weight428.19 g/mol
Exact Mass426.02
IUPAC Name1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine
SMILESClc1cccc(Cl)c1/C=N/C1CCCCC1/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C20H18Cl4N2/c21-15-5-3-6-16(22)13(15)11-25-19-9-1-2-10-20(19)26-12-14-17(23)7-4-8-18(14)24/h3-8,11-12,19-20H,1-2,9-10H2/b25-11+,26-12+
InChIKeyGWVMFOHLFMAOMJ-KOZSXFMUSA-N
XLogP7.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.19
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine (CID 4866472) is 1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine is Clc1cccc(Cl)c1/C=N/C1CCCCC1/N=C/c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine?
The InChIKey is GWVMFOHLFMAOMJ-KOZSXFMUSA-N. The full InChI is InChI=1S/C20H18Cl4N2/c21-15-5-3-6-16(22)13(15)11-25-19-9-1-2-10-20(19)26-12-14-17(23)7-4-8-18(14)24/h3-8,11-12,19-20H,1-2,9-10H2/b25-11+,26-12+.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine?
1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine has a molecular weight of 428.19 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[2-[(2,6-dichlorophenyl)methylideneamino]cyclohexyl]methanimine is sourced from PubChem (CID 4866472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).