N-[1-(bromomethyl)cyclopentyl]hexanamide

C12H22BrNO — CID 114311357

IUPACN-[1-(bromomethyl)cyclopentyl]hexanamide
SMILESCCCCCC(=O)NC1(CBr)CCCC1
InChIInChI=1S/C12H22BrNO/c1-2-3-4-7-11(15)14-12(10-13)8-5-6-9-12/h2-10H2,1H3,(H,14,15)
InChIKeyJPOZIYIPOLLMJP-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.39
Rot. Bonds6

About N-[1-(bromomethyl)cyclopentyl]hexanamide

N-[1-(bromomethyl)cyclopentyl]hexanamide (PubChem CID 114311357) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]hexanamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]hexanamide
PubChem CID114311357
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-[1-(bromomethyl)cyclopentyl]hexanamide
SMILESCCCCCC(=O)NC1(CBr)CCCC1
InChIInChI=1S/C12H22BrNO/c1-2-3-4-7-11(15)14-12(10-13)8-5-6-9-12/h2-10H2,1H3,(H,14,15)
InChIKeyJPOZIYIPOLLMJP-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.39
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-[1-(bromomethyl)cyclopentyl]butanamide
CID 114311287
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617
N-[1-(hydroxymethyl)cyclobutyl]nonanamide
CID 115878113
2-[1-(hexanoylamino)cyclobutyl]acetic acid
CID 79848224
N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide
CID 103969906
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide
CID 115456236
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
N-[1-(hydroxymethyl)cyclopropyl]pentanamide
CID 115764875
N-[1-(chloromethyl)-3-methylcyclohexyl]nonanamide
CID 114304010
N-(1-cyanocyclooctyl)hexanamide
CID 54904747

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]hexanamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]hexanamide (CID 114311357) is N-[1-(bromomethyl)cyclopentyl]hexanamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]hexanamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]hexanamide is CCCCCC(=O)NC1(CBr)CCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]hexanamide?
The InChIKey is JPOZIYIPOLLMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-2-3-4-7-11(15)14-12(10-13)8-5-6-9-12/h2-10H2,1H3,(H,14,15).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]hexanamide?
N-[1-(bromomethyl)cyclopentyl]hexanamide has a molecular weight of 276.22 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]hexanamide is sourced from PubChem (CID 114311357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).