N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide

C16H28BrNO — CID 107183930

IUPACN-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C16H28BrNO/c1-16(2)10-6-9-14(16)15(19)18(12-11-17)13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3
InChIKeyMFSJDAQWXOZFQB-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.37
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide

N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107183930) has the molecular formula C16H28BrNO and a molecular weight of 330.31 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107183930
Molecular FormulaC16H28BrNO
Molecular Weight330.31 g/mol
Exact Mass329.14
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C16H28BrNO/c1-16(2)10-6-9-14(16)15(19)18(12-11-17)13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3
InChIKeyMFSJDAQWXOZFQB-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.37
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-cyclopentyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180339
N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide
CID 107183873
N-cyclopropyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180319
N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 106441463
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide
CID 107182757
N-(2-bromoethyl)-N-cyclopentyl-1-methylcyclopentane-1-carboxamide
CID 80659500
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
CID 107176121
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide
CID 107180646
N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
CID 107174465
N-(2-bromoethyl)-N-cyclohexyl-2,3-dimethylbutanamide
CID 80659315
N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 102978249

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide (CID 107183930) is N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is MFSJDAQWXOZFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrNO/c1-16(2)10-6-9-14(16)15(19)18(12-11-17)13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide?
N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 4.37, 4 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-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107183930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).