N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide

C18H32BrNO — CID 114315007

IUPACN-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NC2(CBr)CCC(C)CC2)CCCC1
InChIInChI=1S/C18H32BrNO/c1-14(2)12-17(8-4-5-9-17)16(21)20-18(13-19)10-6-15(3)7-11-18/h14-15H,4-13H2,1-3H3,(H,20,21)
InChIKeyFMWIFYSFTKWLKM-UHFFFAOYSA-N
MW358.36 g/mol
LogP5.05
Rot. Bonds5

About N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide

N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 114315007) has the molecular formula C18H32BrNO and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID114315007
Molecular FormulaC18H32BrNO
Molecular Weight358.36 g/mol
Exact Mass357.17
IUPAC NameN-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)NC2(CBr)CCC(C)CC2)CCCC1
InChIInChI=1S/C18H32BrNO/c1-14(2)12-17(8-4-5-9-17)16(21)20-18(13-19)10-6-15(3)7-11-18/h14-15H,4-13H2,1-3H3,(H,20,21)
InChIKeyFMWIFYSFTKWLKM-UHFFFAOYSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.36
LogP ≤ 55.05
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-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107233782
N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 113272943
N-[4-(aminomethyl)oxan-4-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 106297480
4-methyl-1-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 65394081
N-(5-bromopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107321660
N-[2-methyl-3-(methylamino)propyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 81479281
N-(1-bromo-4-methylpentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114311733
N-[2-(bromomethyl)-2-ethylbutyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 106254606
N-(2-bromo-4-methylpentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107157722
N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114149392
N-(4-bromo-2-ethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114317729
N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide
CID 114311375

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 114315007) is N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CC1(C(=O)NC2(CBr)CCC(C)CC2)CCCC1.
What is the InChIKey of N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is FMWIFYSFTKWLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32BrNO/c1-14(2)12-17(8-4-5-9-17)16(21)20-18(13-19)10-6-15(3)7-11-18/h14-15H,4-13H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)-4-methylcyclohexyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114315007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).