5-bromo-N,N-diethylpentanamide

C9H18BrNO — CID 11459002

IUPAC5-bromo-N,N-diethylpentanamide
SMILESCCN(CC)C(=O)CCCCBr
InChIInChI=1S/C9H18BrNO/c1-3-11(4-2)9(12)7-5-6-8-10/h3-8H2,1-2H3
InChIKeyGFAYOXFWQRVZHV-UHFFFAOYSA-N
MW236.15 g/mol
LogP2.42
Rot. Bonds6

About 5-bromo-N,N-diethylpentanamide

5-bromo-N,N-diethylpentanamide (PubChem CID 11459002) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is 5-bromo-N,N-diethylpentanamide.

Molecular Properties

Compound Name5-bromo-N,N-diethylpentanamide
PubChem CID11459002
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name5-bromo-N,N-diethylpentanamide
SMILESCCN(CC)C(=O)CCCCBr
InChIInChI=1S/C9H18BrNO/c1-3-11(4-2)9(12)7-5-6-8-10/h3-8H2,1-2H3
InChIKeyGFAYOXFWQRVZHV-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide
CID 107908425
N,N,N',N'-tetraethyl-5-oxononanediamide
CID 24828551
5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide
CID 107909937
6-bromo-N,N-dioctylhexanamide
CID 533338
8-bromo-N,N-didecyloctanamide;ethane
CID 168943816
bromozinc(1+);N,N-diethylpentanamide
CID 134897619
12-(diethylamino)-12-oxododecanoic acid
CID 19794003
methyl 5-(diethylamino)-5-oxopentanoate
CID 12618393
propyl 6-(diethylamino)-6-oxohexanoate
CID 123558597
4-bromo-N,N-didecylbutanamide
CID 168865726
5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide
CID 107910746
N-(2-bromoethyl)-N-butyloctanamide
CID 80658698

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-diethylpentanamide?
The IUPAC name of 5-bromo-N,N-diethylpentanamide (CID 11459002) is 5-bromo-N,N-diethylpentanamide.
What is the SMILES notation for 5-bromo-N,N-diethylpentanamide?
The canonical SMILES for 5-bromo-N,N-diethylpentanamide is CCN(CC)C(=O)CCCCBr.
What is the InChIKey of 5-bromo-N,N-diethylpentanamide?
The InChIKey is GFAYOXFWQRVZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-3-11(4-2)9(12)7-5-6-8-10/h3-8H2,1-2H3.
What are the key properties of 5-bromo-N,N-diethylpentanamide?
5-bromo-N,N-diethylpentanamide has a molecular weight of 236.15 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-diethylpentanamide is sourced from PubChem (CID 11459002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).