N-methyl-N-(3-methylbutyl)carbamoyl bromide

C7H14BrNO — CID 115193691

IUPACN-methyl-N-(3-methylbutyl)carbamoyl bromide
SMILESCC(C)CCN(C)C(=O)Br
InChIInChI=1S/C7H14BrNO/c1-6(2)4-5-9(3)7(8)10/h6H,4-5H2,1-3H3
InChIKeyCLSUHNOXCJRBSB-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.48
Rot. Bonds3

About N-methyl-N-(3-methylbutyl)carbamoyl bromide

N-methyl-N-(3-methylbutyl)carbamoyl bromide (PubChem CID 115193691) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)carbamoyl bromide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)carbamoyl bromide
PubChem CID115193691
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC NameN-methyl-N-(3-methylbutyl)carbamoyl bromide
SMILESCC(C)CCN(C)C(=O)Br
InChIInChI=1S/C7H14BrNO/c1-6(2)4-5-9(3)7(8)10/h6H,4-5H2,1-3H3
InChIKeyCLSUHNOXCJRBSB-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

N-methyl-N-(3-methylbutyl)carbamoyl fluoride
CID 89022465
N-methyl-N-(2-methylbutyl)formamide
CID 54200737
N-methyl-N-(3-methylbutyl)formamide
CID 54215428
N-methyl-N-propylcarbamoyl bromide
CID 115193357
N-methyl-N-(3-methylbutyl)carbamoyl iodide
CID 118884575
N-methyl-N-[(2S)-2-methylbutyl]formamide
CID 148296819
N-methyl-N-[(2R)-2-methylbutyl]formamide
CID 169181512
N-methyl-N-(2-methylpropyl)carbamoyl bromide
CID 115193358
N-(2,2-dimethylpropyl)-N-methylcarbamoyl bromide
CID 115193692
N-(cyclobutylmethyl)-N-methylcarbamoyl bromide
CID 115193856
N-methyl-N-(4-methylpentyl)carbamoyl bromide
CID 115194028
N-(3,3-dimethylbutyl)-N-methylcarbamoyl bromide
CID 115194029

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)carbamoyl bromide?
The IUPAC name of N-methyl-N-(3-methylbutyl)carbamoyl bromide (CID 115193691) is N-methyl-N-(3-methylbutyl)carbamoyl bromide.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)carbamoyl bromide?
The canonical SMILES for N-methyl-N-(3-methylbutyl)carbamoyl bromide is CC(C)CCN(C)C(=O)Br.
What is the InChIKey of N-methyl-N-(3-methylbutyl)carbamoyl bromide?
The InChIKey is CLSUHNOXCJRBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO/c1-6(2)4-5-9(3)7(8)10/h6H,4-5H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylbutyl)carbamoyl bromide?
N-methyl-N-(3-methylbutyl)carbamoyl bromide has a molecular weight of 208.10 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)carbamoyl bromide is sourced from PubChem (CID 115193691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).