3,4-dimethylcyclohexa-2,4-dien-1-imine

C8H10N+ — CID 153352577

IUPAC3,4-dimethylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=C(C)C(C)=C[CH+]1
InChIInChI=1S/C8H10N/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3/q+1/b9-8-
InChIKeyFOYRAEUZQDZPLR-HJWRWDBZSA-N
MW120.17 g/mol
LogP2.12
Rot. Bonds

About 3,4-dimethylcyclohexa-2,4-dien-1-imine

3,4-dimethylcyclohexa-2,4-dien-1-imine (PubChem CID 153352577) has the molecular formula C8H10N+ and a molecular weight of 120.17 g/mol. Its IUPAC name is 3,4-dimethylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name3,4-dimethylcyclohexa-2,4-dien-1-imine
PubChem CID153352577
Molecular FormulaC8H10N+
Molecular Weight120.17 g/mol
Exact Mass120.08
IUPAC Name3,4-dimethylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=C(C)C(C)=C[CH+]1
InChIInChI=1S/C8H10N/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3/q+1/b9-8-
InChIKeyFOYRAEUZQDZPLR-HJWRWDBZSA-N
XLogP2.12
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 3,4-dimethylcyclohexa-2,4-dien-1-imine (CID 153352577) is 3,4-dimethylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 3,4-dimethylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 3,4-dimethylcyclohexa-2,4-dien-1-imine is [H]/N=C1\C=C(C)C(C)=C[CH+]1.
What is the InChIKey of 3,4-dimethylcyclohexa-2,4-dien-1-imine?
The InChIKey is FOYRAEUZQDZPLR-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H10N/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3/q+1/b9-8-.
What are the key properties of 3,4-dimethylcyclohexa-2,4-dien-1-imine?
3,4-dimethylcyclohexa-2,4-dien-1-imine has a molecular weight of 120.17 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 153352577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).