N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide

C12H22BrNO — CID 106128914

IUPACN-[(3-bromocyclopentyl)methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC1CCC(Br)C1
InChIInChI=1S/C12H22BrNO/c1-9(2)3-6-12(15)14-8-10-4-5-11(13)7-10/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyMRIFHIYHYQVNKF-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.10
Rot. Bonds5

About N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide

N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide (PubChem CID 106128914) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-4-methylpentanamide
PubChem CID106128914
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-[(3-bromocyclopentyl)methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC1CCC(Br)C1
InChIInChI=1S/C12H22BrNO/c1-9(2)3-6-12(15)14-8-10-4-5-11(13)7-10/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyMRIFHIYHYQVNKF-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.10
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-[(4-bromocyclohexyl)methyl]-4-methylpentanamide
CID 106134835
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide
CID 114231575
4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 28779882
N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide
CID 106128972
N-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide
CID 106127872
N-[(3-hydroxycyclopentyl)methyl]-4-methoxypentanamide
CID 103280773
4-methyl-N-[[(1R,5S)-8-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pentanamide
CID 166370520
N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide
CID 106128505
N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide
CID 106128574
2-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromocyclopentyl)methyl]acetamide
CID 106129003
N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide
CID 106132571
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide (CID 106128914) is N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide is CC(C)CCC(=O)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide?
The InChIKey is MRIFHIYHYQVNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-9(2)3-6-12(15)14-8-10-4-5-11(13)7-10/h9-11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide?
N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide has a molecular weight of 276.22 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 106128914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).