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

C8H13N — CID 147664125

IUPAC(4E)-2,4-dimethylhexa-1,4-dien-3-imine
SMILES[H]/N=C(C(=C)C)/C(C)=C/C
InChIInChI=1S/C8H13N/c1-5-7(4)8(9)6(2)3/h5,9H,2H2,1,3-4H3/b7-5+,9-8+
InChIKeyGLYLIJGJFXFKLE-ZIRGRKGMSA-N
MW123.20 g/mol
LogP2.55
Rot. Bonds2

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

(4E)-2,4-dimethylhexa-1,4-dien-3-imine (PubChem CID 147664125) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (4E)-2,4-dimethylhexa-1,4-dien-3-imine.

Molecular Properties

Compound Name(4E)-2,4-dimethylhexa-1,4-dien-3-imine
PubChem CID147664125
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(4E)-2,4-dimethylhexa-1,4-dien-3-imine
SMILES[H]/N=C(C(=C)C)/C(C)=C/C
InChIInChI=1S/C8H13N/c1-5-7(4)8(9)6(2)3/h5,9H,2H2,1,3-4H3/b7-5+,9-8+
InChIKeyGLYLIJGJFXFKLE-ZIRGRKGMSA-N
XLogP2.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-2,4-dimethylhexa-1,4-dien-3-imine?
The IUPAC name of (4E)-2,4-dimethylhexa-1,4-dien-3-imine (CID 147664125) is (4E)-2,4-dimethylhexa-1,4-dien-3-imine.
What is the SMILES notation for (4E)-2,4-dimethylhexa-1,4-dien-3-imine?
The canonical SMILES for (4E)-2,4-dimethylhexa-1,4-dien-3-imine is [H]/N=C(C(=C)C)/C(C)=C/C.
What is the InChIKey of (4E)-2,4-dimethylhexa-1,4-dien-3-imine?
The InChIKey is GLYLIJGJFXFKLE-ZIRGRKGMSA-N. The full InChI is InChI=1S/C8H13N/c1-5-7(4)8(9)6(2)3/h5,9H,2H2,1,3-4H3/b7-5+,9-8+.
What are the key properties of (4E)-2,4-dimethylhexa-1,4-dien-3-imine?
(4E)-2,4-dimethylhexa-1,4-dien-3-imine has a molecular weight of 123.20 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2,4-dimethylhexa-1,4-dien-3-imine is sourced from PubChem (CID 147664125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).