N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide

C14H26BrNO — CID 80658610

IUPACN-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide
SMILESCC(C)CCC(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C14H26BrNO/c1-12(2)8-9-14(17)16(11-10-15)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3
InChIKeyJYOGQIAYENHFFU-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.98
Rot. Bonds6

About N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide

N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide (PubChem CID 80658610) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide
PubChem CID80658610
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide
SMILESCC(C)CCC(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C14H26BrNO/c1-12(2)8-9-14(17)16(11-10-15)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3
InChIKeyJYOGQIAYENHFFU-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-N-cycloheptyl-4-methylpentanamide
CID 43319420
N-(2-bromoethyl)-N-cyclohexyloctanamide
CID 80658420
N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102873270
N-(2-bromoethyl)-N-cyclohexyl-4,4,4-trifluorobutanamide
CID 80659519
N-(2-bromoethyl)-N-cyclobutyl-3-methylsulfanylpropanamide
CID 102873226
N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide
CID 80659315
N-(2-bromoethyl)-N-cyclobutyl-2-cycloheptylacetamide
CID 102873056
N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide
CID 80659612
2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 63679316
3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102861214
N-(2-bromoethyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 80659104

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide (CID 80658610) is N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide is CC(C)CCC(=O)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide?
The InChIKey is JYOGQIAYENHFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-12(2)8-9-14(17)16(11-10-15)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide?
N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide has a molecular weight of 304.27 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide is sourced from PubChem (CID 80658610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).