N-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine

C12H20N4 — CID 57330914

IUPACN-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine
SMILESCCN=C=NC1CCCCC1N=C=NCC
InChIInChI=1S/C12H20N4/c1-3-13-9-15-11-7-5-6-8-12(11)16-10-14-4-2/h11-12H,3-8H2,1-2H3
InChIKeyLORYLUBTCAXZSU-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.69
Rot. Bonds4

About N-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine

N-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine (PubChem CID 57330914) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine.

Molecular Properties

Compound NameN-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine
PubChem CID57330914
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine
SMILESCCN=C=NC1CCCCC1N=C=NCC
InChIInChI=1S/C12H20N4/c1-3-13-9-15-11-7-5-6-8-12(11)16-10-14-4-2/h11-12H,3-8H2,1-2H3
InChIKeyLORYLUBTCAXZSU-UHFFFAOYSA-N
XLogP2.69
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.69
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-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine?
The IUPAC name of N-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine (CID 57330914) is N-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine.
What is the SMILES notation for N-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine?
The canonical SMILES for N-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine is CCN=C=NC1CCCCC1N=C=NCC.
What is the InChIKey of N-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine?
The InChIKey is LORYLUBTCAXZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-13-9-15-11-7-5-6-8-12(11)16-10-14-4-2/h11-12H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine?
N-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine has a molecular weight of 220.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(ethyliminomethylideneamino)cyclohexyl]methanediimine is sourced from PubChem (CID 57330914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).