4-methylcyclohexa-2,5-dien-1-imine

C7H9N — CID 12984282

IUPAC4-methylcyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C=CC(C)C=C1
InChIInChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-6,8H,1H3/b8-7-
InChIKeyASOKADJZUPRQSH-FPLPWBNLSA-N
MW107.16 g/mol
LogP1.77
Rot. Bonds

About 4-methylcyclohexa-2,5-dien-1-imine

4-methylcyclohexa-2,5-dien-1-imine (PubChem CID 12984282) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 4-methylcyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound Name4-methylcyclohexa-2,5-dien-1-imine
PubChem CID12984282
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name4-methylcyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C=CC(C)C=C1
InChIInChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-6,8H,1H3/b8-7-
InChIKeyASOKADJZUPRQSH-FPLPWBNLSA-N
XLogP1.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.77
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

2,5-Cyclohexadien-1-imine
CID 6336073
1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
(E)-4-fluoro-5-methylhex-3-en-2-imine
CID 123219991
(Z)-5-fluorohex-3-en-2-imine
CID 123591050
(4Z)-2-fluorohexa-1,4-dien-3-imine
CID 123935448
1-Ethyl-4-imino-2,5-cyclohexadiene
CID 129808996
Cyclohexa-2,5-dien-1-iminium chloride
CID 175647522
(3Z)-4-methylhexa-3,5-dien-2-imine
CID 12661001
3-Methylpent-3-en-2-imine
CID 15835473
3-Diazo-6-methylcyclohexa-1,4-diene
CID 18423973
2-Methylcyclohexa-2,5-diene-1,4-diimine
CID 21499767

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexa-2,5-dien-1-imine?
The IUPAC name of 4-methylcyclohexa-2,5-dien-1-imine (CID 12984282) is 4-methylcyclohexa-2,5-dien-1-imine.
What is the SMILES notation for 4-methylcyclohexa-2,5-dien-1-imine?
The canonical SMILES for 4-methylcyclohexa-2,5-dien-1-imine is [H]N=C1C=CC(C)C=C1.
What is the InChIKey of 4-methylcyclohexa-2,5-dien-1-imine?
The InChIKey is ASOKADJZUPRQSH-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-6,8H,1H3/b8-7-.
What are the key properties of 4-methylcyclohexa-2,5-dien-1-imine?
4-methylcyclohexa-2,5-dien-1-imine has a molecular weight of 107.16 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 12984282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).