1-bromo-N-ethenyl-N-methylethenamine

C5H8BrN — CID 123261561

IUPAC1-bromo-N-ethenyl-N-methylethenamine
SMILESC=CN(C)C(=C)Br
InChIInChI=1S/C5H8BrN/c1-4-7(3)5(2)6/h4H,1-2H2,3H3
InChIKeyMPBNRHMBVHKEJZ-UHFFFAOYSA-N
MW162.03 g/mol
LogP1.93
Rot. Bonds2

About 1-bromo-N-ethenyl-N-methylethenamine

1-bromo-N-ethenyl-N-methylethenamine (PubChem CID 123261561) has the molecular formula C5H8BrN and a molecular weight of 162.03 g/mol. Its IUPAC name is 1-bromo-N-ethenyl-N-methylethenamine.

Molecular Properties

Compound Name1-bromo-N-ethenyl-N-methylethenamine
PubChem CID123261561
Molecular FormulaC5H8BrN
Molecular Weight162.03 g/mol
Exact Mass160.98
IUPAC Name1-bromo-N-ethenyl-N-methylethenamine
SMILESC=CN(C)C(=C)Br
InChIInChI=1S/C5H8BrN/c1-4-7(3)5(2)6/h4H,1-2H2,3H3
InChIKeyMPBNRHMBVHKEJZ-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.03
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N'-ethenyl-1-N'-methylethene-1,1-diamine
CID 174001466
2-[ethenyl(methyl)amino]prop-2-enal
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(E)-3-bromo-N-ethenyl-N-methylbut-2-enamide
CID 166842012
ethane;N-ethenyl-N-methylacetamide
CID 143223383
ethenyl(methyl)carbamothioic S-acid
CID 87914142
N-ethenyl-N-[ethenyl(methyl)carbamoyl]formamide
CID 87921740
N-ethenyl-N-methyl-2-methylidene-3-oxobutanamide
CID 155723594
ethane;N-ethenyl-N,N'-dimethylethanimidamide
CID 143394266
N-ethenyl-N-methylprop-2-enimidamide
CID 143801656
N,N-dimethylethenamine;hydron
CID 174680801
(1E)-2-bromo-N,N-dimethylbuta-1,3-dien-1-amine
CID 153037895
2-bromo-N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 13113536

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-ethenyl-N-methylethenamine?
The IUPAC name of 1-bromo-N-ethenyl-N-methylethenamine (CID 123261561) is 1-bromo-N-ethenyl-N-methylethenamine.
What is the SMILES notation for 1-bromo-N-ethenyl-N-methylethenamine?
The canonical SMILES for 1-bromo-N-ethenyl-N-methylethenamine is C=CN(C)C(=C)Br.
What is the InChIKey of 1-bromo-N-ethenyl-N-methylethenamine?
The InChIKey is MPBNRHMBVHKEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN/c1-4-7(3)5(2)6/h4H,1-2H2,3H3.
What are the key properties of 1-bromo-N-ethenyl-N-methylethenamine?
1-bromo-N-ethenyl-N-methylethenamine has a molecular weight of 162.03 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-ethenyl-N-methylethenamine is sourced from PubChem (CID 123261561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).