5-bromo-N-[4-(dimethylamino)butyl]pentanamide

C11H23BrN2O — CID 107909932

IUPAC5-bromo-N-[4-(dimethylamino)butyl]pentanamide
SMILESCN(C)CCCCNC(=O)CCCCBr
InChIInChI=1S/C11H23BrN2O/c1-14(2)10-6-5-9-13-11(15)7-3-4-8-12/h3-10H2,1-2H3,(H,13,15)
InChIKeyQJXVWGDNNQBWLA-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.01
Rot. Bonds9

About 5-bromo-N-[4-(dimethylamino)butyl]pentanamide

5-bromo-N-[4-(dimethylamino)butyl]pentanamide (PubChem CID 107909932) has the molecular formula C11H23BrN2O and a molecular weight of 279.22 g/mol. Its IUPAC name is 5-bromo-N-[4-(dimethylamino)butyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[4-(dimethylamino)butyl]pentanamide
PubChem CID107909932
Molecular FormulaC11H23BrN2O
Molecular Weight279.22 g/mol
Exact Mass278.10
IUPAC Name5-bromo-N-[4-(dimethylamino)butyl]pentanamide
SMILESCN(C)CCCCNC(=O)CCCCBr
InChIInChI=1S/C11H23BrN2O/c1-14(2)10-6-5-9-13-11(15)7-3-4-8-12/h3-10H2,1-2H3,(H,13,15)
InChIKeyQJXVWGDNNQBWLA-UHFFFAOYSA-N
XLogP2.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide
CID 107910490
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide
CID 23187588
4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide
CID 23187599
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(dimethylamino)butyl]pentanamide?
The IUPAC name of 5-bromo-N-[4-(dimethylamino)butyl]pentanamide (CID 107909932) is 5-bromo-N-[4-(dimethylamino)butyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[4-(dimethylamino)butyl]pentanamide?
The canonical SMILES for 5-bromo-N-[4-(dimethylamino)butyl]pentanamide is CN(C)CCCCNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-[4-(dimethylamino)butyl]pentanamide?
The InChIKey is QJXVWGDNNQBWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2O/c1-14(2)10-6-5-9-13-11(15)7-3-4-8-12/h3-10H2,1-2H3,(H,13,15).
What are the key properties of 5-bromo-N-[4-(dimethylamino)butyl]pentanamide?
5-bromo-N-[4-(dimethylamino)butyl]pentanamide has a molecular weight of 279.22 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(dimethylamino)butyl]pentanamide is sourced from PubChem (CID 107909932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).