(E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine

C6H9BrN2 — CID 144521368

IUPAC(E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine
SMILESC=N/C=C(Br)\C=N\CC
InChIInChI=1S/C6H9BrN2/c1-3-9-5-6(7)4-8-2/h4-5H,2-3H2,1H3/b6-4+,9-5+
InChIKeyFQMRZQXTGHQDID-REZHQCRGSA-N
MW189.06 g/mol
LogP2.01
Rot. Bonds3

About (E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine

(E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine (PubChem CID 144521368) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is (E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine
PubChem CID144521368
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name(E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine
SMILESC=N/C=C(Br)\C=N\CC
InChIInChI=1S/C6H9BrN2/c1-3-9-5-6(7)4-8-2/h4-5H,2-3H2,1H3/b6-4+,9-5+
InChIKeyFQMRZQXTGHQDID-REZHQCRGSA-N
XLogP2.01
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2Z)-3-(dimethylamino)-2-bromoprop-2-enylidene]dimethylamine
CID 10498096
[2-Bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 57362079
(E,3E)-3-(1-aminoethylimino)-2-bromoprop-1-en-1-amine
CID 58368886
3-(1-Aminoethylimino)-2-bromoprop-1-en-1-amine
CID 76736186
(E)-2-bromo-3-methyliminoprop-1-en-1-amine
CID 88260851
N-[(E)-2-bromo-3-methyliminoprop-1-enyl]methanimidoyl chloride
CID 89076821
(E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 89359111
(E)-2-bromo-N-ethenylbut-2-en-1-imine
CID 89472961
(E)-2-bromo-N-methylbut-2-en-1-imine
CID 91026612
2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine
CID 91442683
2-bromo-N-ethenylprop-2-en-1-imine
CID 118973033
2-bromo-N-methylbut-2-en-1-imine
CID 123304254

Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine?
The IUPAC name of (E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine (CID 144521368) is (E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine.
What is the SMILES notation for (E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine?
The canonical SMILES for (E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine is C=N/C=C(Br)\C=N\CC.
What is the InChIKey of (E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine?
The InChIKey is FQMRZQXTGHQDID-REZHQCRGSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-3-9-5-6(7)4-8-2/h4-5H,2-3H2,1H3/b6-4+,9-5+.
What are the key properties of (E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine?
(E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine has a molecular weight of 189.06 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine is sourced from PubChem (CID 144521368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).