cyclohexene;methanediimine

C7H12N2 — CID 135389565

IUPACcyclohexene;methanediimine
SMILESC1=CCCCC1.N=C=N
InChIInChI=1S/C6H10.CH2N2/c1-2-4-6-5-3-1;2-1-3/h1-2H,3-6H2;2-3H
InChIKeyDQCNLAZKFIHGFC-UHFFFAOYSA-N
MW124.19 g/mol
LogP2.43
Rot. Bonds

About cyclohexene;methanediimine

cyclohexene;methanediimine (PubChem CID 135389565) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is cyclohexene;methanediimine.

Molecular Properties

Compound Namecyclohexene;methanediimine
PubChem CID135389565
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Namecyclohexene;methanediimine
SMILESC1=CCCCC1.N=C=N
InChIInChI=1S/C6H10.CH2N2/c1-2-4-6-5-3-1;2-1-3/h1-2H,3-6H2;2-3H
InChIKeyDQCNLAZKFIHGFC-UHFFFAOYSA-N
XLogP2.43
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexene;methanediimine?
The IUPAC name of cyclohexene;methanediimine (CID 135389565) is cyclohexene;methanediimine.
What is the SMILES notation for cyclohexene;methanediimine?
The canonical SMILES for cyclohexene;methanediimine is C1=CCCCC1.N=C=N.
What is the InChIKey of cyclohexene;methanediimine?
The InChIKey is DQCNLAZKFIHGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.CH2N2/c1-2-4-6-5-3-1;2-1-3/h1-2H,3-6H2;2-3H.
What are the key properties of cyclohexene;methanediimine?
cyclohexene;methanediimine has a molecular weight of 124.19 g/mol, XLogP of 2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;methanediimine is sourced from PubChem (CID 135389565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).