bromozinc(1+);N,N-dimethylpropan-1-amine

C5H12BrNZn — CID 56652850

IUPACbromozinc(1+);N,N-dimethylpropan-1-amine
SMILES[CH2-]CCN(C)C.[Zn+]Br
InChIInChI=1S/C5H12N.BrH.Zn/c1-4-5-6(2)3;;/h1,4-5H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyIBJUOSWBYUXGAN-UHFFFAOYSA-M
MW231.45 g/mol
LogP1.62
Rot. Bonds2

About bromozinc(1+);N,N-dimethylpropan-1-amine

bromozinc(1+);N,N-dimethylpropan-1-amine (PubChem CID 56652850) has the molecular formula C5H12BrNZn and a molecular weight of 231.45 g/mol. Its IUPAC name is bromozinc(1+);N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Namebromozinc(1+);N,N-dimethylpropan-1-amine
PubChem CID56652850
Molecular FormulaC5H12BrNZn
Molecular Weight231.45 g/mol
Exact Mass228.94
IUPAC Namebromozinc(1+);N,N-dimethylpropan-1-amine
SMILES[CH2-]CCN(C)C.[Zn+]Br
InChIInChI=1S/C5H12N.BrH.Zn/c1-4-5-6(2)3;;/h1,4-5H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyIBJUOSWBYUXGAN-UHFFFAOYSA-M
XLogP1.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.45
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);N,N-dimethylpropan-1-amine?
The IUPAC name of bromozinc(1+);N,N-dimethylpropan-1-amine (CID 56652850) is bromozinc(1+);N,N-dimethylpropan-1-amine.
What is the SMILES notation for bromozinc(1+);N,N-dimethylpropan-1-amine?
The canonical SMILES for bromozinc(1+);N,N-dimethylpropan-1-amine is [CH2-]CCN(C)C.[Zn+]Br.
What is the InChIKey of bromozinc(1+);N,N-dimethylpropan-1-amine?
The InChIKey is IBJUOSWBYUXGAN-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12N.BrH.Zn/c1-4-5-6(2)3;;/h1,4-5H2,2-3H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);N,N-dimethylpropan-1-amine?
bromozinc(1+);N,N-dimethylpropan-1-amine has a molecular weight of 231.45 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);N,N-dimethylpropan-1-amine is sourced from PubChem (CID 56652850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).