3,6-dimethylidenecyclohexene;methanediimine

C9H12N2 — CID 135389263

IUPAC3,6-dimethylidenecyclohexene;methanediimine
SMILESC=C1C=CC(=C)CC1.N=C=N
InChIInChI=1S/C8H10.CH2N2/c1-7-3-5-8(2)6-4-7;2-1-3/h3,5H,1-2,4,6H2;2-3H
InChIKeyKVZXULCAEHJMNQ-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.77
Rot. Bonds

About 3,6-dimethylidenecyclohexene;methanediimine

3,6-dimethylidenecyclohexene;methanediimine (PubChem CID 135389263) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3,6-dimethylidenecyclohexene;methanediimine.

Molecular Properties

Compound Name3,6-dimethylidenecyclohexene;methanediimine
PubChem CID135389263
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3,6-dimethylidenecyclohexene;methanediimine
SMILESC=C1C=CC(=C)CC1.N=C=N
InChIInChI=1S/C8H10.CH2N2/c1-7-3-5-8(2)6-4-7;2-1-3/h3,5H,1-2,4,6H2;2-3H
InChIKeyKVZXULCAEHJMNQ-UHFFFAOYSA-N
XLogP2.77
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.77
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 3,6-dimethylidenecyclohexene;methanediimine?
The IUPAC name of 3,6-dimethylidenecyclohexene;methanediimine (CID 135389263) is 3,6-dimethylidenecyclohexene;methanediimine.
What is the SMILES notation for 3,6-dimethylidenecyclohexene;methanediimine?
The canonical SMILES for 3,6-dimethylidenecyclohexene;methanediimine is C=C1C=CC(=C)CC1.N=C=N.
What is the InChIKey of 3,6-dimethylidenecyclohexene;methanediimine?
The InChIKey is KVZXULCAEHJMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.CH2N2/c1-7-3-5-8(2)6-4-7;2-1-3/h3,5H,1-2,4,6H2;2-3H.
What are the key properties of 3,6-dimethylidenecyclohexene;methanediimine?
3,6-dimethylidenecyclohexene;methanediimine has a molecular weight of 148.21 g/mol, XLogP of 2.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylidenecyclohexene;methanediimine is sourced from PubChem (CID 135389263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).