1-cyclohexa-1,4-dien-1-ylethanimine

C8H11N — CID 91445209

IUPAC1-cyclohexa-1,4-dien-1-ylethanimine
SMILES[H]/N=C(\C)C1=CCC=CC1
InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-3,6,9H,4-5H2,1H3/b9-7+
InChIKeyYQFXXDBFZSTPLY-VQHVLOKHSA-N
MW121.18 g/mol
LogP2.30
Rot. Bonds1

About 1-cyclohexa-1,4-dien-1-ylethanimine

1-cyclohexa-1,4-dien-1-ylethanimine (PubChem CID 91445209) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-cyclohexa-1,4-dien-1-ylethanimine.

Molecular Properties

Compound Name1-cyclohexa-1,4-dien-1-ylethanimine
PubChem CID91445209
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-cyclohexa-1,4-dien-1-ylethanimine
SMILES[H]/N=C(\C)C1=CCC=CC1
InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-3,6,9H,4-5H2,1H3/b9-7+
InChIKeyYQFXXDBFZSTPLY-VQHVLOKHSA-N
XLogP2.30
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methylenecyclohexa-2,4-dienimine
CID 10909510
Cyclohexenimine
CID 18766735
2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
Toluquinone diimine
CID 57641797
1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
(4-Propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 86016874
3-Methyl-2-cyclopentenimine
CID 91232431
Cyclohex-4-ene-1,3-diimine
CID 101179917
Dibenzocycloheptenimin
CID 129628903
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
1-Cyclohexa-1,4-dien-1-yl-2,2,2-trifluoroethanimine
CID 123220668
4-Fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 134381223

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,4-dien-1-ylethanimine?
The IUPAC name of 1-cyclohexa-1,4-dien-1-ylethanimine (CID 91445209) is 1-cyclohexa-1,4-dien-1-ylethanimine.
What is the SMILES notation for 1-cyclohexa-1,4-dien-1-ylethanimine?
The canonical SMILES for 1-cyclohexa-1,4-dien-1-ylethanimine is [H]/N=C(\C)C1=CCC=CC1.
What is the InChIKey of 1-cyclohexa-1,4-dien-1-ylethanimine?
The InChIKey is YQFXXDBFZSTPLY-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-3,6,9H,4-5H2,1H3/b9-7+.
What are the key properties of 1-cyclohexa-1,4-dien-1-ylethanimine?
1-cyclohexa-1,4-dien-1-ylethanimine has a molecular weight of 121.18 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,4-dien-1-ylethanimine is sourced from PubChem (CID 91445209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).