5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide

C12H25BrN2O — CID 107910746

IUPAC5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide
SMILESCCN(C(=O)CCCCBr)C(C)CN(C)C
InChIInChI=1S/C12H25BrN2O/c1-5-15(11(2)10-14(3)4)12(16)8-6-7-9-13/h11H,5-10H2,1-4H3
InChIKeyHNTGWQWCWPQZAK-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.35
Rot. Bonds8

About 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide

5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide (PubChem CID 107910746) has the molecular formula C12H25BrN2O and a molecular weight of 293.25 g/mol. Its IUPAC name is 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide.

Molecular Properties

Compound Name5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide
PubChem CID107910746
Molecular FormulaC12H25BrN2O
Molecular Weight293.25 g/mol
Exact Mass292.12
IUPAC Name5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide
SMILESCCN(C(=O)CCCCBr)C(C)CN(C)C
InChIInChI=1S/C12H25BrN2O/c1-5-15(11(2)10-14(3)4)12(16)8-6-7-9-13/h11H,5-10H2,1-4H3
InChIKeyHNTGWQWCWPQZAK-UHFFFAOYSA-N
XLogP2.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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

5-bromo-N,N-diethylpentanamide
CID 11459002
5-bromo-N-butan-2-yl-N-butylpentanamide
CID 107909392
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-propoxyacetamide
CID 103275017
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(2-methoxyethoxy)acetamide
CID 103275016
5-bromo-N-ethyl-N-(2-ethylbutyl)pentanamide
CID 107908425
3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide
CID 103188745
N-butan-2-yl-5-chloro-N-ethylpentanamide
CID 43274439
5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide
CID 107909884
2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide
CID 103187986
N-ethyl-N-(1-hydroxyethyl)hexanamide
CID 174417992
2-[carboxymethyl-[2-[carboxymethyl(hexanoyl)amino]propyl]amino]acetic acid
CID 89070602
5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 107910661

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide?
The IUPAC name of 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide (CID 107910746) is 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide.
What is the SMILES notation for 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide?
The canonical SMILES for 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide is CCN(C(=O)CCCCBr)C(C)CN(C)C.
What is the InChIKey of 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide?
The InChIKey is HNTGWQWCWPQZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrN2O/c1-5-15(11(2)10-14(3)4)12(16)8-6-7-9-13/h11H,5-10H2,1-4H3.
What are the key properties of 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide?
5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide has a molecular weight of 293.25 g/mol, XLogP of 2.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide is sourced from PubChem (CID 107910746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).