2,5-Dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine

C9H11N — CID 88993567

IUPAC2,5-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESCC1=CC=C(C(=N)C1=C)C
InChIInChI=1S/C9H11N/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,3H2,1-2H3
InChIKeyZPELNHGYYKPGKP-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.00
Rot. Bonds

About 2,5-Dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine

2,5-Dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 88993567) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2,5-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name2,5-Dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID88993567
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2,5-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESCC1=CC=C(C(=N)C1=C)C
InChIInChI=1S/C9H11N/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,3H2,1-2H3
InChIKeyZPELNHGYYKPGKP-UHFFFAOYSA-N
XLogP2.00
TPSA23.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity254

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-imine
CID 10950233
Toluquinone diimine
CID 57641797
3-Methyl-2-cyclopentenimine
CID 91232431
Dibenzocycloheptenimin
CID 129628903
4-Ethyl-5-fluorohepta-4,6-dien-3-imine
CID 123295188
(3E,5Z)-3-ethylidene-5-[(E)-1-fluoroprop-1-enyl]octa-1,5,7-trien-4-imine
CID 132066393
4-Fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 134381223
4-Fluoro-3,6-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 138705960
(6E)-6-ethylidene-5-fluoro-3-methylcyclohexa-2,4-dien-1-imine
CID 144524442
(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
CID 154987810
4-Fluoro-3-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 155221501
5-Fluoro-3-methyl-6,7-dihydroinden-1-imine
CID 163805724

Frequently Asked Questions

What is the IUPAC name of 2,5-Dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of 2,5-Dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine (CID 88993567) is 2,5-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 2,5-Dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for 2,5-Dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine is CC1=CC=C(C(=N)C1=C)C.
What is the InChIKey of 2,5-Dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is ZPELNHGYYKPGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,3H2,1-2H3.
What are the key properties of 2,5-Dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine?
2,5-Dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 133.19 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-Dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 88993567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).