N,N'-dicyclohexylmethanediimine

C13H22N2 — CID 10868

IUPACN,N'-dicyclohexylmethanediimine
SMILESC(=NC1CCCCC1)=NC1CCCCC1
InChIInChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2
InChIKeyQOSSAOTZNIDXMA-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.83
Rot. Bonds2

About N,N'-dicyclohexylmethanediimine

N,N'-dicyclohexylmethanediimine (PubChem CID 10868) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N,N'-dicyclohexylmethanediimine.

Molecular Properties

Compound NameN,N'-dicyclohexylmethanediimine
PubChem CID10868
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN,N'-dicyclohexylmethanediimine
SMILESC(=NC1CCCCC1)=NC1CCCCC1
InChIInChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2
InChIKeyQOSSAOTZNIDXMA-UHFFFAOYSA-N
XLogP3.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,N'-dicyclohexylmethanediimine?
The IUPAC name of N,N'-dicyclohexylmethanediimine (CID 10868) is N,N'-dicyclohexylmethanediimine.
What is the SMILES notation for N,N'-dicyclohexylmethanediimine?
The canonical SMILES for N,N'-dicyclohexylmethanediimine is C(=NC1CCCCC1)=NC1CCCCC1.
What is the InChIKey of N,N'-dicyclohexylmethanediimine?
The InChIKey is QOSSAOTZNIDXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2.
What are the key properties of N,N'-dicyclohexylmethanediimine?
N,N'-dicyclohexylmethanediimine has a molecular weight of 206.33 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylmethanediimine is sourced from PubChem (CID 10868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).