2-bromo-2-methylpropan-1-imine

C4H8BrN — CID 142134063

IUPAC2-bromo-2-methylpropan-1-imine
SMILES[H]/N=C/C(C)(C)Br
InChIInChI=1S/C4H8BrN/c1-4(2,5)3-6/h3,6H,1-2H3/b6-3+
InChIKeyRBWVVTWOTVKZRY-ZZXKWVIFSA-N
MW150.02 g/mol
LogP1.81
Rot. Bonds1

About 2-bromo-2-methylpropan-1-imine

2-bromo-2-methylpropan-1-imine (PubChem CID 142134063) has the molecular formula C4H8BrN and a molecular weight of 150.02 g/mol. Its IUPAC name is 2-bromo-2-methylpropan-1-imine.

Molecular Properties

Compound Name2-bromo-2-methylpropan-1-imine
PubChem CID142134063
Molecular FormulaC4H8BrN
Molecular Weight150.02 g/mol
Exact Mass148.98
IUPAC Name2-bromo-2-methylpropan-1-imine
SMILES[H]/N=C/C(C)(C)Br
InChIInChI=1S/C4H8BrN/c1-4(2,5)3-6/h3,6H,1-2H3/b6-3+
InChIKeyRBWVVTWOTVKZRY-ZZXKWVIFSA-N
XLogP1.81
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.02
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methylpropan-1-imine?
The IUPAC name of 2-bromo-2-methylpropan-1-imine (CID 142134063) is 2-bromo-2-methylpropan-1-imine.
What is the SMILES notation for 2-bromo-2-methylpropan-1-imine?
The canonical SMILES for 2-bromo-2-methylpropan-1-imine is [H]/N=C/C(C)(C)Br.
What is the InChIKey of 2-bromo-2-methylpropan-1-imine?
The InChIKey is RBWVVTWOTVKZRY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C4H8BrN/c1-4(2,5)3-6/h3,6H,1-2H3/b6-3+.
What are the key properties of 2-bromo-2-methylpropan-1-imine?
2-bromo-2-methylpropan-1-imine has a molecular weight of 150.02 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methylpropan-1-imine is sourced from PubChem (CID 142134063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).