2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide

C11H21BrN2O — CID 114327405

IUPAC2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(C)(Br)C(=O)NCCCN1CCCC1
InChIInChI=1S/C11H21BrN2O/c1-11(2,12)10(15)13-6-5-9-14-7-3-4-8-14/h3-9H2,1-2H3,(H,13,15)
InChIKeySOEVPUAMLQXKCY-UHFFFAOYSA-N
MW277.21 g/mol
LogP1.76
Rot. Bonds5

About 2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide

2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 114327405) has the molecular formula C11H21BrN2O and a molecular weight of 277.21 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID114327405
Molecular FormulaC11H21BrN2O
Molecular Weight277.21 g/mol
Exact Mass276.08
IUPAC Name2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(C)(Br)C(=O)NCCCN1CCCC1
InChIInChI=1S/C11H21BrN2O/c1-11(2,12)10(15)13-6-5-9-14-7-3-4-8-14/h3-9H2,1-2H3,(H,13,15)
InChIKeySOEVPUAMLQXKCY-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 51.76
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

2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 114328411
2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide
CID 119831283
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 60707604
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
2-oxo-N-(3-piperidin-1-ylpropyl)propanamide
CID 121311935
3-(tert-butylamino)-N-(3-piperidin-1-ylpropyl)propanamide
CID 60851294
3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 62933528
2,2,2-trichloro-N-[3-[4-[3-[(2,2,2-trichloroacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 5084928
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide (CID 114327405) is 2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide is CC(C)(Br)C(=O)NCCCN1CCCC1.
What is the InChIKey of 2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is SOEVPUAMLQXKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2O/c1-11(2,12)10(15)13-6-5-9-14-7-3-4-8-14/h3-9H2,1-2H3,(H,13,15).
What are the key properties of 2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide?
2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 277.21 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 114327405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).