N,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane

C15H28N2S2 — CID 159385518

IUPACN,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CSSC
InChIInChI=1S/C13H22N2.C2H6S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-3-4-2/h12-13H,1-10H2;1-2H3
InChIKeyLLLDLYIDQAKBRA-UHFFFAOYSA-N
MW300.54 g/mol
LogP5.45
Rot. Bonds3

About N,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane

N,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane (PubChem CID 159385518) has the molecular formula C15H28N2S2 and a molecular weight of 300.54 g/mol. Its IUPAC name is N,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane.

Molecular Properties

Compound NameN,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane
PubChem CID159385518
Molecular FormulaC15H28N2S2
Molecular Weight300.54 g/mol
Exact Mass300.17
IUPAC NameN,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CSSC
InChIInChI=1S/C13H22N2.C2H6S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-3-4-2/h12-13H,1-10H2;1-2H3
InChIKeyLLLDLYIDQAKBRA-UHFFFAOYSA-N
XLogP5.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.54
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane?
The IUPAC name of N,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane (CID 159385518) is N,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane.
What is the SMILES notation for N,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane?
The canonical SMILES for N,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane is C(=NC1CCCCC1)=NC1CCCCC1.CSSC.
What is the InChIKey of N,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane?
The InChIKey is LLLDLYIDQAKBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C2H6S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-3-4-2/h12-13H,1-10H2;1-2H3.
What are the key properties of N,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane?
N,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane has a molecular weight of 300.54 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylmethanediimine;(methyldisulfanyl)methane is sourced from PubChem (CID 159385518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).