5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide

C12H23BrN2O — CID 107910399

IUPAC5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide
SMILESCC(CNC(=O)CCCCBr)N1CCCC1
InChIInChI=1S/C12H23BrN2O/c1-11(15-8-4-5-9-15)10-14-12(16)6-2-3-7-13/h11H,2-10H2,1H3,(H,14,16)
InChIKeyMYSKKDVXBXTKSJ-UHFFFAOYSA-N
MW291.23 g/mol
LogP2.15
Rot. Bonds7

About 5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide

5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide (PubChem CID 107910399) has the molecular formula C12H23BrN2O and a molecular weight of 291.23 g/mol. Its IUPAC name is 5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide
PubChem CID107910399
Molecular FormulaC12H23BrN2O
Molecular Weight291.23 g/mol
Exact Mass290.10
IUPAC Name5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide
SMILESCC(CNC(=O)CCCCBr)N1CCCC1
InChIInChI=1S/C12H23BrN2O/c1-11(15-8-4-5-9-15)10-14-12(16)6-2-3-7-13/h11H,2-10H2,1H3,(H,14,16)
InChIKeyMYSKKDVXBXTKSJ-UHFFFAOYSA-N
XLogP2.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 52.15
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

3-(ethylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 62836646
3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 54899224
4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide
CID 110301716
2-pyrrolidin-1-ylpropylurea
CID 112728366
7-amino-N-[2-(4-methylpiperazin-1-yl)propyl]heptanamide;trihydrochloride
CID 119902835
5-bromo-N-(2-methyl-3-methylsulfanylpropyl)pentanamide
CID 107910118
2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 114328963
N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 110402962
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid
CID 104569665
3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110620424
7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
CID 119866531

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide?
The IUPAC name of 5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide (CID 107910399) is 5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide?
The canonical SMILES for 5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide is CC(CNC(=O)CCCCBr)N1CCCC1.
What is the InChIKey of 5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide?
The InChIKey is MYSKKDVXBXTKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN2O/c1-11(15-8-4-5-9-15)10-14-12(16)6-2-3-7-13/h11H,2-10H2,1H3,(H,14,16).
What are the key properties of 5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide?
5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide has a molecular weight of 291.23 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide is sourced from PubChem (CID 107910399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).