5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide

C12H25BrN2O — CID 107909937

IUPAC5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide
SMILESCCCN(CCN(C)C)C(=O)CCCCBr
InChIInChI=1S/C12H25BrN2O/c1-4-9-15(11-10-14(2)3)12(16)7-5-6-8-13/h4-11H2,1-3H3
InChIKeySJNQNCUZOKPVLL-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.35
Rot. Bonds9

About 5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide

5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide (PubChem CID 107909937) has the molecular formula C12H25BrN2O and a molecular weight of 293.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide
PubChem CID107909937
Molecular FormulaC12H25BrN2O
Molecular Weight293.25 g/mol
Exact Mass292.12
IUPAC Name5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide
SMILESCCCN(CCN(C)C)C(=O)CCCCBr
InChIInChI=1S/C12H25BrN2O/c1-4-9-15(11-10-14(2)3)12(16)7-5-6-8-13/h4-11H2,1-3H3
InChIKeySJNQNCUZOKPVLL-UHFFFAOYSA-N
XLogP2.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
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]-5-hydroxy-N-propylpentanamide
CID 79209171
5-bromo-N,N-diethylpentanamide
CID 11459002
6-bromo-N,N-dioctylhexanamide
CID 533338
8-bromo-N,N-didecyloctanamide;ethane
CID 168943816
N,N-dipropylnonadecanamide
CID 12960009
4-bromo-N,N-didecylbutanamide
CID 168865726
N,N-bis[3-(dimethylamino)propyl]decanamide
CID 86204992
N-(2-bromoethyl)-N-butyloctanamide
CID 80658698
4-amino-N,N-dipropylbutanamide
CID 12835718
5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide
CID 107908425
3-[butyl(methyl)amino]-N,N-dipropylpropanamide
CID 109032448
N-[3-(dimethylamino)propyl]-N-propylpropanamide
CID 142178242

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide (CID 107909937) is 5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide is CCCN(CCN(C)C)C(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide?
The InChIKey is SJNQNCUZOKPVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrN2O/c1-4-9-15(11-10-14(2)3)12(16)7-5-6-8-13/h4-11H2,1-3H3.
What are the key properties of 5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide?
5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide has a molecular weight of 293.25 g/mol, XLogP of 2.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide is sourced from PubChem (CID 107909937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).