5,6-dimethylcyclohexa-2,4-dien-1-imine

C8H11N — CID 141054141

IUPAC5,6-dimethylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C(C)C1C
InChIInChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5,7,9H,1-2H3/b9-8+
InChIKeyYIPURUBWCKRLMI-CMDGGOBGSA-N
MW121.18 g/mol
LogP2.16
Rot. Bonds

About 5,6-dimethylcyclohexa-2,4-dien-1-imine

5,6-dimethylcyclohexa-2,4-dien-1-imine (PubChem CID 141054141) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 5,6-dimethylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name5,6-dimethylcyclohexa-2,4-dien-1-imine
PubChem CID141054141
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name5,6-dimethylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C(C)C1C
InChIInChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5,7,9H,1-2H3/b9-8+
InChIKeyYIPURUBWCKRLMI-CMDGGOBGSA-N
XLogP2.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5,6-dimethylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 5,6-dimethylcyclohexa-2,4-dien-1-imine (CID 141054141) is 5,6-dimethylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 5,6-dimethylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 5,6-dimethylcyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=C(C)C1C.
What is the InChIKey of 5,6-dimethylcyclohexa-2,4-dien-1-imine?
The InChIKey is YIPURUBWCKRLMI-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5,7,9H,1-2H3/b9-8+.
What are the key properties of 5,6-dimethylcyclohexa-2,4-dien-1-imine?
5,6-dimethylcyclohexa-2,4-dien-1-imine has a molecular weight of 121.18 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 141054141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).