2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide

C11H23BrN2O — CID 114328559

IUPAC2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide
SMILESCCN(CC)CC(C)NC(=O)C(C)(C)Br
InChIInChI=1S/C11H23BrN2O/c1-6-14(7-2)8-9(3)13-10(15)11(4,5)12/h9H,6-8H2,1-5H3,(H,13,15)
InChIKeyKUGFPXFOAVQHJJ-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.01
Rot. Bonds6

About 2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide

2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide (PubChem CID 114328559) has the molecular formula C11H23BrN2O and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide
PubChem CID114328559
Molecular FormulaC11H23BrN2O
Molecular Weight279.22 g/mol
Exact Mass278.10
IUPAC Name2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide
SMILESCCN(CC)CC(C)NC(=O)C(C)(C)Br
InChIInChI=1S/C11H23BrN2O/c1-6-14(7-2)8-9(3)13-10(15)11(4,5)12/h9H,6-8H2,1-5H3,(H,13,15)
InChIKeyKUGFPXFOAVQHJJ-UHFFFAOYSA-N
XLogP2.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide
CID 78986835
N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76929727
2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide
CID 114329139
2-bromo-N-(3-ethylpentan-2-yl)-2-methylpropanamide
CID 114328721
N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide
CID 79202231
2-[1-(diethylamino)propan-2-ylamino]-2-methylbutanoic acid
CID 114991056
2-N-tert-butyl-1-N,1-N-diethylpropane-1,2-diamine
CID 126758240
3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid
CID 79623860
1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea
CID 166297621
N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide
CID 79278726
(2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide
CID 103814036
2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 115649433

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide (CID 114328559) is 2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide is CCN(CC)CC(C)NC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide?
The InChIKey is KUGFPXFOAVQHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2O/c1-6-14(7-2)8-9(3)13-10(15)11(4,5)12/h9H,6-8H2,1-5H3,(H,13,15).
What are the key properties of 2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide?
2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide has a molecular weight of 279.22 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 114328559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).