N-(3-bromopropyl)-4-methylpentanamide

C9H18BrNO — CID 43133531

IUPACN-(3-bromopropyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCCBr
InChIInChI=1S/C9H18BrNO/c1-8(2)4-5-9(12)11-7-3-6-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyRJKOWBWLNOYLKO-UHFFFAOYSA-N
MW236.15 g/mol
LogP2.32
Rot. Bonds6

About N-(3-bromopropyl)-4-methylpentanamide

N-(3-bromopropyl)-4-methylpentanamide (PubChem CID 43133531) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is N-(3-bromopropyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-4-methylpentanamide
PubChem CID43133531
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC NameN-(3-bromopropyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCCBr
InChIInChI=1S/C9H18BrNO/c1-8(2)4-5-9(12)11-7-3-6-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyRJKOWBWLNOYLKO-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-4-methylpentanamide?
The IUPAC name of N-(3-bromopropyl)-4-methylpentanamide (CID 43133531) is N-(3-bromopropyl)-4-methylpentanamide.
What is the SMILES notation for N-(3-bromopropyl)-4-methylpentanamide?
The canonical SMILES for N-(3-bromopropyl)-4-methylpentanamide is CC(C)CCC(=O)NCCCBr.
What is the InChIKey of N-(3-bromopropyl)-4-methylpentanamide?
The InChIKey is RJKOWBWLNOYLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-8(2)4-5-9(12)11-7-3-6-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-(3-bromopropyl)-4-methylpentanamide?
N-(3-bromopropyl)-4-methylpentanamide has a molecular weight of 236.15 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-4-methylpentanamide is sourced from PubChem (CID 43133531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).