N-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide

C7H14BrNO — CID 115193692

IUPACN-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide
SMILESCN(CC(C)(C)C)C(=O)Br
InChIInChI=1S/C7H14BrNO/c1-7(2,3)5-9(4)6(8)10/h5H2,1-4H3
InChIKeyMWYUSKADMNBAPQ-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.48
Rot. Bonds1

About N-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide

N-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide (PubChem CID 115193692) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide
PubChem CID115193692
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC NameN-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide
SMILESCN(CC(C)(C)C)C(=O)Br
InChIInChI=1S/C7H14BrNO/c1-7(2,3)5-9(4)6(8)10/h5H2,1-4H3
InChIKeyMWYUSKADMNBAPQ-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.48
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-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide (CID 115193692) is N-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide is CN(CC(C)(C)C)C(=O)Br.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide?
The InChIKey is MWYUSKADMNBAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO/c1-7(2,3)5-9(4)6(8)10/h5H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide?
N-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide has a molecular weight of 208.10 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide is sourced from PubChem (CID 115193692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).