butanimidoyl bromide

C4H8BrN — CID 151001850

IUPACbutanimidoyl bromide
SMILES[H]/N=C(\Br)CCC
InChIInChI=1S/C4H8BrN/c1-2-3-4(5)6/h6H,2-3H2,1H3/b6-4-
InChIKeyLUGOJIUAHPIRQB-XQRVVYSFSA-N
MW150.02 g/mol
LogP2.16
Rot. Bonds2

About butanimidoyl bromide

butanimidoyl bromide (PubChem CID 151001850) has the molecular formula C4H8BrN and a molecular weight of 150.02 g/mol. Its IUPAC name is butanimidoyl bromide.

Molecular Properties

Compound Namebutanimidoyl bromide
PubChem CID151001850
Molecular FormulaC4H8BrN
Molecular Weight150.02 g/mol
Exact Mass148.98
IUPAC Namebutanimidoyl bromide
SMILES[H]/N=C(\Br)CCC
InChIInChI=1S/C4H8BrN/c1-2-3-4(5)6/h6H,2-3H2,1H3/b6-4-
InChIKeyLUGOJIUAHPIRQB-XQRVVYSFSA-N
XLogP2.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.02
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxybutanediimidoyl dibromide
CID 175095164
hexan-3-imine
CID 44512023
3-iminobutanimidoyl bromide
CID 118688687
(5Z)-5,7-dimethylocta-5,7-dien-4-imine
CID 135190093
2-iminopentanimidamide
CID 90797983
ethane;N-prop-2-enylidenebutanimidamide
CID 170581268
2-iminoheptan-4-one
CID 54339625
N,N-dibutylbutanimidamide
CID 63175446
1-hydroxy-3-iminohexan-2-one
CID 146743170
heptan-4-imine;2-methylprop-1-ene
CID 175527412
4,5-dimethylideneoctane
CID 13294231
pentanimidoyl iodide
CID 135251548

Frequently Asked Questions

What is the IUPAC name of butanimidoyl bromide?
The IUPAC name of butanimidoyl bromide (CID 151001850) is butanimidoyl bromide.
What is the SMILES notation for butanimidoyl bromide?
The canonical SMILES for butanimidoyl bromide is [H]/N=C(\Br)CCC.
What is the InChIKey of butanimidoyl bromide?
The InChIKey is LUGOJIUAHPIRQB-XQRVVYSFSA-N. The full InChI is InChI=1S/C4H8BrN/c1-2-3-4(5)6/h6H,2-3H2,1H3/b6-4-.
What are the key properties of butanimidoyl bromide?
butanimidoyl bromide has a molecular weight of 150.02 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanimidoyl bromide is sourced from PubChem (CID 151001850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).