(Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine

C8H14N2 — CID 89370186

IUPAC(Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine
SMILESCCC(=C/C=N/C)/C=N/C
InChIInChI=1S/C8H14N2/c1-4-8(7-10-3)5-6-9-2/h5-7H,4H2,1-3H3/b8-5-,9-6+,10-7+
InChIKeyUJZJTRFKRLHLPM-BOHRHADZSA-N
MW138.21 g/mol
LogP1.72
Rot. Bonds3

About (Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine

(Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine (PubChem CID 89370186) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine
PubChem CID89370186
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine
SMILESCCC(=C/C=N/C)/C=N/C
InChIInChI=1S/C8H14N2/c1-4-8(7-10-3)5-6-9-2/h5-7H,4H2,1-3H3/b8-5-,9-6+,10-7+
InChIKeyUJZJTRFKRLHLPM-BOHRHADZSA-N
XLogP1.72
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine?
The IUPAC name of (Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine (CID 89370186) is (Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine?
The canonical SMILES for (Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine is CCC(=C/C=N/C)/C=N/C.
What is the InChIKey of (Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine?
The InChIKey is UJZJTRFKRLHLPM-BOHRHADZSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(7-10-3)5-6-9-2/h5-7H,4H2,1-3H3/b8-5-,9-6+,10-7+.
What are the key properties of (Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine?
(Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine has a molecular weight of 138.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine is sourced from PubChem (CID 89370186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).