N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide

C13H24BrNO — CID 114316586

IUPACN-(5-bromopentan-2-yl)-3-cyclopentylpropanamide
SMILESCC(CCCBr)NC(=O)CCC1CCCC1
InChIInChI=1S/C13H24BrNO/c1-11(5-4-10-14)15-13(16)9-8-12-6-2-3-7-12/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyKQSJLLHYIRQGEE-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.64
Rot. Bonds7

About N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide

N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide (PubChem CID 114316586) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)-3-cyclopentylpropanamide
PubChem CID114316586
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC NameN-(5-bromopentan-2-yl)-3-cyclopentylpropanamide
SMILESCC(CCCBr)NC(=O)CCC1CCCC1
InChIInChI=1S/C13H24BrNO/c1-11(5-4-10-14)15-13(16)9-8-12-6-2-3-7-12/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyKQSJLLHYIRQGEE-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide
CID 114305958
N-(1-bromo-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106355007
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
CID 115662074
3-(3-cyclobutylpropanoylamino)butanoic acid
CID 119347962
N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide
CID 114151280
4-amino-N-(4-cyclohexylbutan-2-yl)pentanamide
CID 120562906
N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106354559
3-(3-aminocyclohexyl)-N-hexan-2-ylpropanamide
CID 80701095
N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide
CID 63930209
4-cyclohexyl-N-(1-methoxypropan-2-yl)butanamide
CID 78785346

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide?
The IUPAC name of N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide (CID 114316586) is N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide is CC(CCCBr)NC(=O)CCC1CCCC1.
What is the InChIKey of N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide?
The InChIKey is KQSJLLHYIRQGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-11(5-4-10-14)15-13(16)9-8-12-6-2-3-7-12/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide?
N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide has a molecular weight of 290.25 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide is sourced from PubChem (CID 114316586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).