N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide

C11H20BrNO — CID 103969670

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
SMILESCCC(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C11H20BrNO/c1-2-10(14)13-9-11(8-12)6-4-3-5-7-11/h2-9H2,1H3,(H,13,14)
InChIKeyZUQILIIYEOHEJX-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.86
Rot. Bonds4

About N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide

N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide (PubChem CID 103969670) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
PubChem CID103969670
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
SMILESCCC(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C11H20BrNO/c1-2-10(14)13-9-11(8-12)6-4-3-5-7-11/h2-9H2,1H3,(H,13,14)
InChIKeyZUQILIIYEOHEJX-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.86
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-(bromomethyl)cyclohexyl]methyl]hexanamide
CID 103969906
ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205
N-[[1-(bromomethyl)cyclohexyl]methyl]-2-methylsulfanylacetamide
CID 103969662
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114877037
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 103969722
N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide
CID 103969950
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166823
N-[[1-(bromomethyl)cyclopropyl]methyl]dodecanamide
CID 115456236
3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107975224
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-cyclopropylacetamide
CID 115456501
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide
CID 115456298

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide (CID 103969670) is N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide is CCC(=O)NCC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide?
The InChIKey is ZUQILIIYEOHEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-2-10(14)13-9-11(8-12)6-4-3-5-7-11/h2-9H2,1H3,(H,13,14).
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide has a molecular weight of 262.19 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 103969670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).