N'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine

C11H14Br2N2 — CID 130440900

IUPACN'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine
SMILESC/C=C(\C)NCNc1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2N2/c1-3-8(2)14-7-15-11-6-9(12)4-5-10(11)13/h3-6,14-15H,7H2,1-2H3/b8-3+
InChIKeyDSLQHBQYXAYTAE-FPYGCLRLSA-N
MW334.06 g/mol
LogP4.09
Rot. Bonds4

About N'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine

N'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine (PubChem CID 130440900) has the molecular formula C11H14Br2N2 and a molecular weight of 334.06 g/mol. Its IUPAC name is N'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine.

Molecular Properties

Compound NameN'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine
PubChem CID130440900
Molecular FormulaC11H14Br2N2
Molecular Weight334.06 g/mol
Exact Mass331.95
IUPAC NameN'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine
SMILESC/C=C(\C)NCNc1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2N2/c1-3-8(2)14-7-15-11-6-9(12)4-5-10(11)13/h3-6,14-15H,7H2,1-2H3/b8-3+
InChIKeyDSLQHBQYXAYTAE-FPYGCLRLSA-N
XLogP4.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.06
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine?
The IUPAC name of N'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine (CID 130440900) is N'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine.
What is the SMILES notation for N'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine?
The canonical SMILES for N'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine is C/C=C(\C)NCNc1cc(Br)ccc1Br.
What is the InChIKey of N'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine?
The InChIKey is DSLQHBQYXAYTAE-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H14Br2N2/c1-3-8(2)14-7-15-11-6-9(12)4-5-10(11)13/h3-6,14-15H,7H2,1-2H3/b8-3+.
What are the key properties of N'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine?
N'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine has a molecular weight of 334.06 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-but-2-en-2-yl]-N-(2,5-dibromophenyl)methanediamine is sourced from PubChem (CID 130440900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).