N-[2-(bromomethyl)cyclohexyl]pentanamide

C12H22BrNO — CID 106367298

IUPACN-[2-(bromomethyl)cyclohexyl]pentanamide
SMILESCCCCC(=O)NC1CCCCC1CBr
InChIInChI=1S/C12H22BrNO/c1-2-3-8-12(15)14-11-7-5-4-6-10(11)9-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyTZRZVNAGLDYLJR-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(bromomethyl)cyclohexyl]pentanamide

N-[2-(bromomethyl)cyclohexyl]pentanamide (PubChem CID 106367298) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]pentanamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]pentanamide
PubChem CID106367298
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-[2-(bromomethyl)cyclohexyl]pentanamide
SMILESCCCCC(=O)NC1CCCCC1CBr
InChIInChI=1S/C12H22BrNO/c1-2-3-8-12(15)14-11-7-5-4-6-10(11)9-13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyTZRZVNAGLDYLJR-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
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-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
N-[2-(chloromethyl)cyclopentyl]nonanamide
CID 114179441
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740
N-(2-bromocyclohexyl)heptanamide
CID 114754026
N-[(1R,2R)-2-aminocyclohexyl]nonanamide
CID 103805764
N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide
CID 106366407
N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide
CID 158939000
N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
CID 106367229
N-[2-(bromomethyl)cyclohexyl]-3-(2,2-difluoroethoxy)propanamide
CID 106367115
N-[2-(chloromethyl)cyclopentyl]butanamide
CID 106365880

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]pentanamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]pentanamide (CID 106367298) is N-[2-(bromomethyl)cyclohexyl]pentanamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]pentanamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]pentanamide is CCCCC(=O)NC1CCCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]pentanamide?
The InChIKey is TZRZVNAGLDYLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-2-3-8-12(15)14-11-7-5-4-6-10(11)9-13/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]pentanamide?
N-[2-(bromomethyl)cyclohexyl]pentanamide has a molecular weight of 276.22 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]pentanamide is sourced from PubChem (CID 106367298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).