(2E,4E)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine

C8H11Cl2N — CID 118033199

IUPAC(2E,4E)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine
SMILESC/C=C(Cl)\C(C)=C(Cl)/C=N/C
InChIInChI=1S/C8H11Cl2N/c1-4-7(9)6(2)8(10)5-11-3/h4-5H,1-3H3/b7-4+,8-6+,11-5+
InChIKeyURKZVTPUOTZBRZ-YGKOTEAESA-N
MW192.09 g/mol
LogP3.34
Rot. Bonds2

About (2E,4E)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine

(2E,4E)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine (PubChem CID 118033199) has the molecular formula C8H11Cl2N and a molecular weight of 192.09 g/mol. Its IUPAC name is (2E,4E)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4E)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine
PubChem CID118033199
Molecular FormulaC8H11Cl2N
Molecular Weight192.09 g/mol
Exact Mass191.03
IUPAC Name(2E,4E)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine
SMILESC/C=C(Cl)\C(C)=C(Cl)/C=N/C
InChIInChI=1S/C8H11Cl2N/c1-4-7(9)6(2)8(10)5-11-3/h4-5H,1-3H3/b7-4+,8-6+,11-5+
InChIKeyURKZVTPUOTZBRZ-YGKOTEAESA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.09
LogP ≤ 53.34
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)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine?
The IUPAC name of (2E,4E)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine (CID 118033199) is (2E,4E)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2E,4E)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine?
The canonical SMILES for (2E,4E)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine is C/C=C(Cl)\C(C)=C(Cl)/C=N/C.
What is the InChIKey of (2E,4E)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine?
The InChIKey is URKZVTPUOTZBRZ-YGKOTEAESA-N. The full InChI is InChI=1S/C8H11Cl2N/c1-4-7(9)6(2)8(10)5-11-3/h4-5H,1-3H3/b7-4+,8-6+,11-5+.
What are the key properties of (2E,4E)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine?
(2E,4E)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine has a molecular weight of 192.09 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2,4-dichloro-N,3-dimethylhexa-2,4-dien-1-imine is sourced from PubChem (CID 118033199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).