2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide

C10H21BrN2O — CID 114328555

IUPAC2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide
SMILESCN(C)CCCCNC(=O)C(C)(C)Br
InChIInChI=1S/C10H21BrN2O/c1-10(2,11)9(14)12-7-5-6-8-13(3)4/h5-8H2,1-4H3,(H,12,14)
InChIKeyIFRRGEIVWUKUDO-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.62
Rot. Bonds6

About 2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide

2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide (PubChem CID 114328555) has the molecular formula C10H21BrN2O and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide
PubChem CID114328555
Molecular FormulaC10H21BrN2O
Molecular Weight265.19 g/mol
Exact Mass264.08
IUPAC Name2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide
SMILESCN(C)CCCCNC(=O)C(C)(C)Br
InChIInChI=1S/C10H21BrN2O/c1-10(2,11)9(14)12-7-5-6-8-13(3)4/h5-8H2,1-4H3,(H,12,14)
InChIKeyIFRRGEIVWUKUDO-UHFFFAOYSA-N
XLogP1.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(hydroxyamino)-2-methylpropanamide
CID 118563431
N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide
CID 176552020
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide
CID 114328325
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
2-bromo-2-methyl-N-pent-4-ynylpropanamide
CID 106220855
2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium
CID 102380329
N-[3-(dimethylamino)propyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108960576
N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959445
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108960555
N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108960603
2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 71936802
2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 114327405

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide (CID 114328555) is 2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide is CN(C)CCCCNC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide?
The InChIKey is IFRRGEIVWUKUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2O/c1-10(2,11)9(14)12-7-5-6-8-13(3)4/h5-8H2,1-4H3,(H,12,14).
What are the key properties of 2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide?
2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide has a molecular weight of 265.19 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide is sourced from PubChem (CID 114328555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).