N-methyl-N-(2-methylpropyl)carbamoyl bromide

C6H12BrNO — CID 115193358

IUPACN-methyl-N-(2-methylpropyl)carbamoyl bromide
SMILESCC(C)CN(C)C(=O)Br
InChIInChI=1S/C6H12BrNO/c1-5(2)4-8(3)6(7)9/h5H,4H2,1-3H3
InChIKeyFZXQQIIUBHWUFO-UHFFFAOYSA-N
MW194.07 g/mol
LogP2.09
Rot. Bonds2

About N-methyl-N-(2-methylpropyl)carbamoyl bromide

N-methyl-N-(2-methylpropyl)carbamoyl bromide (PubChem CID 115193358) has the molecular formula C6H12BrNO and a molecular weight of 194.07 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)carbamoyl bromide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)carbamoyl bromide
PubChem CID115193358
Molecular FormulaC6H12BrNO
Molecular Weight194.07 g/mol
Exact Mass193.01
IUPAC NameN-methyl-N-(2-methylpropyl)carbamoyl bromide
SMILESCC(C)CN(C)C(=O)Br
InChIInChI=1S/C6H12BrNO/c1-5(2)4-8(3)6(7)9/h5H,4H2,1-3H3
InChIKeyFZXQQIIUBHWUFO-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)carbamoyl bromide?
The IUPAC name of N-methyl-N-(2-methylpropyl)carbamoyl bromide (CID 115193358) is N-methyl-N-(2-methylpropyl)carbamoyl bromide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)carbamoyl bromide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)carbamoyl bromide is CC(C)CN(C)C(=O)Br.
What is the InChIKey of N-methyl-N-(2-methylpropyl)carbamoyl bromide?
The InChIKey is FZXQQIIUBHWUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO/c1-5(2)4-8(3)6(7)9/h5H,4H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)carbamoyl bromide?
N-methyl-N-(2-methylpropyl)carbamoyl bromide has a molecular weight of 194.07 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)carbamoyl bromide is sourced from PubChem (CID 115193358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).