(E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine

C5H11BrN2 — CID 131978464

IUPAC(E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine
SMILESCN/C(Br)=C\N(C)C
InChIInChI=1S/C5H11BrN2/c1-7-5(6)4-8(2)3/h4,7H,1-3H3/b5-4-
InChIKeyIXSZLJATWWHZHA-PLNGDYQASA-N
MW179.06 g/mol
LogP0.96
Rot. Bonds2

About (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine

(E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine (PubChem CID 131978464) has the molecular formula C5H11BrN2 and a molecular weight of 179.06 g/mol. Its IUPAC name is (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine
PubChem CID131978464
Molecular FormulaC5H11BrN2
Molecular Weight179.06 g/mol
Exact Mass178.01
IUPAC Name(E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine
SMILESCN/C(Br)=C\N(C)C
InChIInChI=1S/C5H11BrN2/c1-7-5(6)4-8(2)3/h4,7H,1-3H3/b5-4-
InChIKeyIXSZLJATWWHZHA-PLNGDYQASA-N
XLogP0.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine?
The IUPAC name of (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine (CID 131978464) is (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine.
What is the SMILES notation for (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine?
The canonical SMILES for (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine is CN/C(Br)=C\N(C)C.
What is the InChIKey of (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine?
The InChIKey is IXSZLJATWWHZHA-PLNGDYQASA-N. The full InChI is InChI=1S/C5H11BrN2/c1-7-5(6)4-8(2)3/h4,7H,1-3H3/b5-4-.
What are the key properties of (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine?
(E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine has a molecular weight of 179.06 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-N,N',N'-trimethylethene-1,2-diamine is sourced from PubChem (CID 131978464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).