2-bromo-3-methyliminobut-1-en-1-amine

C5H9BrN2 — CID 173494002

IUPAC2-bromo-3-methyliminobut-1-en-1-amine
SMILESC/N=C(\C)C(Br)=CN
InChIInChI=1S/C5H9BrN2/c1-4(8-2)5(6)3-7/h3H,7H2,1-2H3/b5-3?,8-4+
InChIKeyBFEPLWABRKJDSF-ZDUSDAAASA-N
MW177.05 g/mol
LogP1.27
Rot. Bonds1

About 2-bromo-3-methyliminobut-1-en-1-amine

2-bromo-3-methyliminobut-1-en-1-amine (PubChem CID 173494002) has the molecular formula C5H9BrN2 and a molecular weight of 177.05 g/mol. Its IUPAC name is 2-bromo-3-methyliminobut-1-en-1-amine.

Molecular Properties

Compound Name2-bromo-3-methyliminobut-1-en-1-amine
PubChem CID173494002
Molecular FormulaC5H9BrN2
Molecular Weight177.05 g/mol
Exact Mass175.99
IUPAC Name2-bromo-3-methyliminobut-1-en-1-amine
SMILESC/N=C(\C)C(Br)=CN
InChIInChI=1S/C5H9BrN2/c1-4(8-2)5(6)3-7/h3H,7H2,1-2H3/b5-3?,8-4+
InChIKeyBFEPLWABRKJDSF-ZDUSDAAASA-N
XLogP1.27
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
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 ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-fluoro-3-methyliminobut-1-en-1-amine
CID 142977565
(E)-5-amino-1,4-dibromo-3-methyliminopent-4-en-2-one
CID 156651097
CID 158271275
CID 158271275
(1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine
CID 167286267
2,4-dimethyl-3-methyliminopent-1-en-1-amine
CID 174306198
(E)-3-bromo-N'-methylbut-2-enimidamide
CID 123167599
2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel
CID 20647692
(Z)-3-dimethylphosphoryl-2-methyl-3-methyliminoprop-1-en-1-amine
CID 168971982
3-[C-(2-amino-1-bromoethenyl)-N-methylcarbonimidoyl]-4-methoxyaniline
CID 147146512
(E)-4-methyl-2-methyliminohex-4-en-3-one
CID 123666831
(Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine
CID 144908792
3-methyliminobut-1-en-2-amine
CID 142085830

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyliminobut-1-en-1-amine?
The IUPAC name of 2-bromo-3-methyliminobut-1-en-1-amine (CID 173494002) is 2-bromo-3-methyliminobut-1-en-1-amine.
What is the SMILES notation for 2-bromo-3-methyliminobut-1-en-1-amine?
The canonical SMILES for 2-bromo-3-methyliminobut-1-en-1-amine is C/N=C(\C)C(Br)=CN.
What is the InChIKey of 2-bromo-3-methyliminobut-1-en-1-amine?
The InChIKey is BFEPLWABRKJDSF-ZDUSDAAASA-N. The full InChI is InChI=1S/C5H9BrN2/c1-4(8-2)5(6)3-7/h3H,7H2,1-2H3/b5-3?,8-4+.
What are the key properties of 2-bromo-3-methyliminobut-1-en-1-amine?
2-bromo-3-methyliminobut-1-en-1-amine has a molecular weight of 177.05 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyliminobut-1-en-1-amine is sourced from PubChem (CID 173494002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).