N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide

C13H24BrNO — CID 114877037

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC1(CBr)CCCC1
InChIInChI=1S/C13H24BrNO/c1-3-11(2)8-12(16)15-10-13(9-14)6-4-5-7-13/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyVJWMXWMDSCFQKE-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.49
Rot. Bonds6

About N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide

N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide (PubChem CID 114877037) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide
PubChem CID114877037
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC1(CBr)CCCC1
InChIInChI=1S/C13H24BrNO/c1-3-11(2)8-12(16)15-10-13(9-14)6-4-5-7-13/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyVJWMXWMDSCFQKE-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.49
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-[(1-hydroxycyclopentyl)methyl]-3-methylpentanamide
CID 114875416
N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
CID 103969670
1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114873836
N-[[1-(bromomethyl)cyclohexyl]methyl]hexanamide
CID 103969906
N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide
CID 103969662
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide
CID 103970115
3-(aminomethyl)-N-[(1-ethylcyclopentyl)methyl]pentanamide
CID 114125108
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166823
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 103969722
3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966735
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide
CID 115456236

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide (CID 114877037) is N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide is CCC(C)CC(=O)NCC1(CBr)CCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide?
The InChIKey is VJWMXWMDSCFQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-3-11(2)8-12(16)15-10-13(9-14)6-4-5-7-13/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide has a molecular weight of 290.25 g/mol, XLogP of 3.49, 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]methyl]-3-methylpentanamide is sourced from PubChem (CID 114877037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).