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

C18H30N4 — CID 131972397

IUPACN'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine
SMILESC(=NCCCCN=C=NC1CCCCC1)=NC1CCCCC1
InChIInChI=1S/C18H30N4/c1-3-9-17(10-4-1)21-15-19-13-7-8-14-20-16-22-18-11-5-2-6-12-18/h17-18H,1-14H2
InChIKeyMFDNZIRPWJSNBM-UHFFFAOYSA-N
MW302.47 g/mol
LogP4.78
Rot. Bonds7

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

N'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine (PubChem CID 131972397) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is N'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine.

Molecular Properties

Compound NameN'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine
PubChem CID131972397
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC NameN'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine
SMILESC(=NCCCCN=C=NC1CCCCC1)=NC1CCCCC1
InChIInChI=1S/C18H30N4/c1-3-9-17(10-4-1)21-15-19-13-7-8-14-20-16-22-18-11-5-2-6-12-18/h17-18H,1-14H2
InChIKeyMFDNZIRPWJSNBM-UHFFFAOYSA-N
XLogP4.78
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine
CID 23220269
1,6-diisocyanatohexane;isocyanatocyclohexane
CID 88803406
N,N'-dicyclohexylmethanediimine;λ2-plumbane
CID 174956509
sodium;N,N'-dicyclohexylmethanediimine;hydride
CID 175020266
N'-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanediimine
CID 89225813
N,N'-dicyclohexylmethanediimine;isocyanic acid
CID 87197010
N'-tert-butyl-N-cyclopentylmethanediimine
CID 44613172
lithium;N,N'-dicyclohexylmethanediimine;thiocyanate
CID 87293630
N,N'-dicyclohexylmethanediimine;propan-2-one
CID 142827484
N-cyclohexyl-N'-[1-(cyclohexyliminomethylideneamino)ethyl]methanediimine
CID 141213199
N-cyclohexyl-N'-[4-(cyclohexyliminomethylideneamino)phenyl]methanediimine
CID 87328488
N-cyclohexylethenimine
CID 22149410

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine?
The IUPAC name of N'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine (CID 131972397) is N'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine.
What is the SMILES notation for N'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine?
The canonical SMILES for N'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine is C(=NCCCCN=C=NC1CCCCC1)=NC1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine?
The InChIKey is MFDNZIRPWJSNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-3-9-17(10-4-1)21-15-19-13-7-8-14-20-16-22-18-11-5-2-6-12-18/h17-18H,1-14H2.
What are the key properties of N'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine?
N'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine has a molecular weight of 302.47 g/mol, XLogP of 4.78, 7 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)butyl]methanediimine is sourced from PubChem (CID 131972397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).