(2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine

C10H14BrN — CID 169623675

IUPAC(2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine
SMILESC/C(=C\C(=C(/C)\C=NC=C)\C)/Br
InChIInChI=1S/C10H14BrN/c1-5-12-7-9(3)8(2)6-10(4)11/h5-7H,1H2,2-4H3/b9-8+,10-6+,12-7?
InChIKeyPMWNUCQANHILCK-QLFLPRPASA-N
MW228.13 g/mol
LogP3.40
Rot. Bonds3

About (2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine

(2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine (PubChem CID 169623675) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is (2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine
PubChem CID169623675
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name(2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine
SMILESC/C(=C\C(=C(/C)\C=NC=C)\C)/Br
InChIInChI=1S/C10H14BrN/c1-5-12-7-9(3)8(2)6-10(4)11/h5-7H,1H2,2-4H3/b9-8+,10-6+,12-7?
InChIKeyPMWNUCQANHILCK-QLFLPRPASA-N
XLogP3.40
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity247

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine?
The IUPAC name of (2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine (CID 169623675) is (2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine?
The canonical SMILES for (2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine is C/C(=C\C(=C(/C)\C=NC=C)\C)/Br.
What is the InChIKey of (2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine?
The InChIKey is PMWNUCQANHILCK-QLFLPRPASA-N. The full InChI is InChI=1S/C10H14BrN/c1-5-12-7-9(3)8(2)6-10(4)11/h5-7H,1H2,2-4H3/b9-8+,10-6+,12-7?.
What are the key properties of (2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine?
(2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine has a molecular weight of 228.13 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-bromo-N-ethenyl-2,3-dimethylhexa-2,4-dien-1-imine is sourced from PubChem (CID 169623675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).