N,N'-dioctadecylmethanediimine

C37H74N2 — CID 10918627

IUPACN,N'-dioctadecylmethanediimine
SMILESCCCCCCCCCCCCCCCCCCN=C=NCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C37H74N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKeyIXDCJFUOQJOQCM-UHFFFAOYSA-N
MW547.01 g/mol
LogP13.68
Rot. Bonds34

About N,N'-dioctadecylmethanediimine

N,N'-dioctadecylmethanediimine (PubChem CID 10918627) has the molecular formula C37H74N2 and a molecular weight of 547.01 g/mol. Its IUPAC name is N,N'-dioctadecylmethanediimine.

Molecular Properties

Compound NameN,N'-dioctadecylmethanediimine
PubChem CID10918627
Molecular FormulaC37H74N2
Molecular Weight547.01 g/mol
Exact Mass546.59
IUPAC NameN,N'-dioctadecylmethanediimine
SMILESCCCCCCCCCCCCCCCCCCN=C=NCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C37H74N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKeyIXDCJFUOQJOQCM-UHFFFAOYSA-N
XLogP13.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.01
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-pentyl-N-propylmethanediimine
CID 88904849
1-isothiocyanatotetracosane
CID 175827875
1-isocyanatodotriacontane
CID 87857577
1-isoselenocyanatoheptane
CID 172734462
sodium;hydride;1-isothiocyanatododecane
CID 173360383
1-isothiocyanatopentane;λ2-stannane
CID 173286662
N,N'-dipropylmethanediimine
CID 12725951
2-(butyliminomethylideneamino)-N,N-dimethylethanamine
CID 134871643
1-isocyanatopentane;isocyanic acid
CID 88728305
triacontane
CID 12535
dictane
CID 19848341
decane;heptane
CID 159049036

Frequently Asked Questions

What is the IUPAC name of N,N'-dioctadecylmethanediimine?
The IUPAC name of N,N'-dioctadecylmethanediimine (CID 10918627) is N,N'-dioctadecylmethanediimine.
What is the SMILES notation for N,N'-dioctadecylmethanediimine?
The canonical SMILES for N,N'-dioctadecylmethanediimine is CCCCCCCCCCCCCCCCCCN=C=NCCCCCCCCCCCCCCCCCC.
What is the InChIKey of N,N'-dioctadecylmethanediimine?
The InChIKey is IXDCJFUOQJOQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3.
What are the key properties of N,N'-dioctadecylmethanediimine?
N,N'-dioctadecylmethanediimine has a molecular weight of 547.01 g/mol, XLogP of 13.68, 34 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dioctadecylmethanediimine is sourced from PubChem (CID 10918627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).