cyclohexane;methanediimine

C7H14N2 — CID 161069555

IUPACcyclohexane;methanediimine
SMILESC1CCCCC1.N=C=N
InChIInChI=1S/C6H12.CH2N2/c1-2-4-6-5-3-1;2-1-3/h1-6H2;2-3H
InChIKeyUELZOGUDUHHZTP-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.66
Rot. Bonds

About cyclohexane;methanediimine

cyclohexane;methanediimine (PubChem CID 161069555) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is cyclohexane;methanediimine.

Molecular Properties

Compound Namecyclohexane;methanediimine
PubChem CID161069555
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namecyclohexane;methanediimine
SMILESC1CCCCC1.N=C=N
InChIInChI=1S/C6H12.CH2N2/c1-2-4-6-5-3-1;2-1-3/h1-6H2;2-3H
InChIKeyUELZOGUDUHHZTP-UHFFFAOYSA-N
XLogP2.66
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.66
H-Bond Donors ≤ 52
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 cyclohexane;methanediimine?
The IUPAC name of cyclohexane;methanediimine (CID 161069555) is cyclohexane;methanediimine.
What is the SMILES notation for cyclohexane;methanediimine?
The canonical SMILES for cyclohexane;methanediimine is C1CCCCC1.N=C=N.
What is the InChIKey of cyclohexane;methanediimine?
The InChIKey is UELZOGUDUHHZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.CH2N2/c1-2-4-6-5-3-1;2-1-3/h1-6H2;2-3H.
What are the key properties of cyclohexane;methanediimine?
cyclohexane;methanediimine has a molecular weight of 126.20 g/mol, XLogP of 2.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;methanediimine is sourced from PubChem (CID 161069555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).