N,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine

C20H36N4 — CID 23220269

IUPACN,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CCCCCCN=C=N
InChIInChI=1S/C13H22N2.C7H14N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-2-3-4-5-6-9-7-8/h12-13H,1-10H2;8H,2-6H2,1H3
InChIKeyBDDZWSQKGIIJCJ-UHFFFAOYSA-N
MW332.54 g/mol
LogP6.15
Rot. Bonds7

About N,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine

N,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine (PubChem CID 23220269) has the molecular formula C20H36N4 and a molecular weight of 332.54 g/mol. Its IUPAC name is N,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine.

Molecular Properties

Compound NameN,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine
PubChem CID23220269
Molecular FormulaC20H36N4
Molecular Weight332.54 g/mol
Exact Mass332.29
IUPAC NameN,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CCCCCCN=C=N
InChIInChI=1S/C13H22N2.C7H14N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-2-3-4-5-6-9-7-8/h12-13H,1-10H2;8H,2-6H2,1H3
InChIKeyBDDZWSQKGIIJCJ-UHFFFAOYSA-N
XLogP6.15
TPSA60.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.54
LogP ≤ 56.15
H-Bond Donors ≤ 51
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,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine 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'-cyclohexyl-N-[4-(cyclohexyliminomethylideneamino)butyl]methanediimine
CID 131972397
N,N'-dicyclohexylmethanediimine;isocyanic acid
CID 87197010
N,N'-dicyclohexylmethanediimine;λ2-plumbane
CID 174956509
1,6-diisocyanatohexane;isocyanatocyclohexane
CID 88803406
sodium;N,N'-dicyclohexylmethanediimine;hydride
CID 175020266
N'-cycloundecylmethanediimine
CID 166908646
N,N'-dioctadecylmethanediimine
CID 10918627
1,4-diisocyanatocyclohexane;1,6-diisocyanatohexane;pentane
CID 174832166
N,N'-dicyclohexylmethanediimine;4-hexoxybenzoic acid
CID 158425705
butan-1-amine;2-butyl-1,3-dicyclohexylguanidine;N,N'-dicyclohexylmethanediimine
CID 169432043
N,N'-dicyclohexylmethanediimine;ethynoxyethane
CID 21481424
N'-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanediimine
CID 89225813

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine?
The IUPAC name of N,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine (CID 23220269) is N,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine.
What is the SMILES notation for N,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine?
The canonical SMILES for N,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine is C(=NC1CCCCC1)=NC1CCCCC1.CCCCCCN=C=N.
What is the InChIKey of N,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine?
The InChIKey is BDDZWSQKGIIJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C7H14N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-2-3-4-5-6-9-7-8/h12-13H,1-10H2;8H,2-6H2,1H3.
What are the key properties of N,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine?
N,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine has a molecular weight of 332.54 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylmethanediimine;N'-hexylmethanediimine is sourced from PubChem (CID 23220269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).