(E)-3-bromo-N'-methylbut-2-enimidamide

C5H9BrN2 — CID 123167599

IUPAC(E)-3-bromo-N'-methylbut-2-enimidamide
SMILESC/N=C(N)/C=C(\C)Br
InChIInChI=1S/C5H9BrN2/c1-4(6)3-5(7)8-2/h3H,1-2H3,(H2,7,8)/b4-3+
InChIKeyURDXQZUANOBIDZ-ONEGZZNKSA-N
MW177.05 g/mol
LogP1.27
Rot. Bonds1

About (E)-3-bromo-N'-methylbut-2-enimidamide

(E)-3-bromo-N'-methylbut-2-enimidamide (PubChem CID 123167599) has the molecular formula C5H9BrN2 and a molecular weight of 177.05 g/mol. Its IUPAC name is (E)-3-bromo-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-3-bromo-N'-methylbut-2-enimidamide
PubChem CID123167599
Molecular FormulaC5H9BrN2
Molecular Weight177.05 g/mol
Exact Mass175.99
IUPAC Name(E)-3-bromo-N'-methylbut-2-enimidamide
SMILESC/N=C(N)/C=C(\C)Br
InChIInChI=1S/C5H9BrN2/c1-4(6)3-5(7)8-2/h3H,1-2H3,(H2,7,8)/b4-3+
InChIKeyURDXQZUANOBIDZ-ONEGZZNKSA-N
XLogP1.27
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.05
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride
CID 165385964
(E)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
CID 177427556
(Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
CID 135889870
(E)-5-methyliminohex-3-en-3-amine
CID 171096126
N'-methylethanimidamide;vanadium
CID 161014708
2-bromo-4-methylhexa-2,4-diene
CID 76702782
CID 158271275
CID 158271275
2-bromo-3-methyliminobut-1-en-1-amine
CID 173494002
N'-hydroxyethanimidamide;N'-methylethanimidamide
CID 172976060
2-bromoprop-1-en-1-ol
CID 71347780
(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
CID 138740142
(2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide
CID 142082907

Frequently Asked Questions

What is the IUPAC name of (E)-3-bromo-N'-methylbut-2-enimidamide?
The IUPAC name of (E)-3-bromo-N'-methylbut-2-enimidamide (CID 123167599) is (E)-3-bromo-N'-methylbut-2-enimidamide.
What is the SMILES notation for (E)-3-bromo-N'-methylbut-2-enimidamide?
The canonical SMILES for (E)-3-bromo-N'-methylbut-2-enimidamide is C/N=C(N)/C=C(\C)Br.
What is the InChIKey of (E)-3-bromo-N'-methylbut-2-enimidamide?
The InChIKey is URDXQZUANOBIDZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H9BrN2/c1-4(6)3-5(7)8-2/h3H,1-2H3,(H2,7,8)/b4-3+.
What are the key properties of (E)-3-bromo-N'-methylbut-2-enimidamide?
(E)-3-bromo-N'-methylbut-2-enimidamide has a molecular weight of 177.05 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-bromo-N'-methylbut-2-enimidamide is sourced from PubChem (CID 123167599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).