N-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine

C20H26N4 — CID 87328488

IUPACN-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine
SMILESC(=Nc1ccc(N=C=NC2CCCCC2)cc1)=NC1CCCCC1
InChIInChI=1S/C20H26N4/c1-3-7-17(8-4-1)21-15-23-19-11-13-20(14-12-19)24-16-22-18-9-5-2-6-10-18/h11-14,17-18H,1-10H2
InChIKeyRGDIUDPRXYGPRR-UHFFFAOYSA-N
MW322.46 g/mol
LogP5.96
Rot. Bonds4

About N-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine

N-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine (PubChem CID 87328488) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine.

Molecular Properties

Compound NameN-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine
PubChem CID87328488
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC NameN-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine
SMILESC(=Nc1ccc(N=C=NC2CCCCC2)cc1)=NC1CCCCC1
InChIInChI=1S/C20H26N4/c1-3-7-17(8-4-1)21-15-23-19-11-13-20(14-12-19)24-16-22-18-9-5-2-6-10-18/h11-14,17-18H,1-10H2
InChIKeyRGDIUDPRXYGPRR-UHFFFAOYSA-N
XLogP5.96
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.46
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine?
The IUPAC name of N-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine (CID 87328488) is N-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine.
What is the SMILES notation for N-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine?
The canonical SMILES for N-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine is C(=Nc1ccc(N=C=NC2CCCCC2)cc1)=NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine?
The InChIKey is RGDIUDPRXYGPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-3-7-17(8-4-1)21-15-23-19-11-13-20(14-12-19)24-16-22-18-9-5-2-6-10-18/h11-14,17-18H,1-10H2.
What are the key properties of N-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine?
N-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine has a molecular weight of 322.46 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine is sourced from PubChem (CID 87328488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).