N-(4-bromopentyl)-4-methylpentanamide

C11H22BrNO — CID 106131429

IUPACN-(4-bromopentyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCCC(C)Br
InChIInChI=1S/C11H22BrNO/c1-9(2)6-7-11(14)13-8-4-5-10(3)12/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyKPTGLZKGGXOJAA-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.10
Rot. Bonds7

About N-(4-bromopentyl)-4-methylpentanamide

N-(4-bromopentyl)-4-methylpentanamide (PubChem CID 106131429) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is N-(4-bromopentyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-4-methylpentanamide
PubChem CID106131429
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC NameN-(4-bromopentyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCCC(C)Br
InChIInChI=1S/C11H22BrNO/c1-9(2)6-7-11(14)13-8-4-5-10(3)12/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyKPTGLZKGGXOJAA-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4-bromopentyl)heptanamide
CID 106131403
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
N-(4-bromopentyl)-2-methylpropanamide
CID 106130687
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106131283
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
N-(4-methylpentyl)propanamide
CID 54140551
4-[[2-(4-methylpentanoylamino)acetyl]amino]butanoic acid
CID 119171039
3-(tert-butylamino)-N-(4-methylpentyl)propanamide
CID 61044511
4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide
CID 155456056
N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
CID 177260511

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-4-methylpentanamide?
The IUPAC name of N-(4-bromopentyl)-4-methylpentanamide (CID 106131429) is N-(4-bromopentyl)-4-methylpentanamide.
What is the SMILES notation for N-(4-bromopentyl)-4-methylpentanamide?
The canonical SMILES for N-(4-bromopentyl)-4-methylpentanamide is CC(C)CCC(=O)NCCCC(C)Br.
What is the InChIKey of N-(4-bromopentyl)-4-methylpentanamide?
The InChIKey is KPTGLZKGGXOJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-9(2)6-7-11(14)13-8-4-5-10(3)12/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-(4-bromopentyl)-4-methylpentanamide?
N-(4-bromopentyl)-4-methylpentanamide has a molecular weight of 264.21 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)-4-methylpentanamide is sourced from PubChem (CID 106131429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).