(E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine

C6H9BrN2 — CID 89209949

IUPAC(E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine
SMILESC=C(C)/N=C/C(Br)=C\N
InChIInChI=1S/C6H9BrN2/c1-5(2)9-4-6(7)3-8/h3-4H,1,8H2,2H3/b6-3+,9-4+
InChIKeyDILUCQFUQOYLOF-PLPQCDBPSA-N
MW189.06 g/mol
LogP1.79
Rot. Bonds2

About (E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine

(E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine (PubChem CID 89209949) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is (E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine
PubChem CID89209949
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name(E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine
SMILESC=C(C)/N=C/C(Br)=C\N
InChIInChI=1S/C6H9BrN2/c1-5(2)9-4-6(7)3-8/h3-4H,1,8H2,2H3/b6-3+,9-4+
InChIKeyDILUCQFUQOYLOF-PLPQCDBPSA-N
XLogP1.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.79
H-Bond Donors ≤ 51
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 (E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine?
The IUPAC name of (E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine (CID 89209949) is (E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine.
What is the SMILES notation for (E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine?
The canonical SMILES for (E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine is C=C(C)/N=C/C(Br)=C\N.
What is the InChIKey of (E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine?
The InChIKey is DILUCQFUQOYLOF-PLPQCDBPSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-5(2)9-4-6(7)3-8/h3-4H,1,8H2,2H3/b6-3+,9-4+.
What are the key properties of (E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine?
(E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine has a molecular weight of 189.06 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine is sourced from PubChem (CID 89209949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).