N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide

C15H26BrNO — CID 107184223

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NCC1CCCCC1CBr
InChIInChI=1S/C15H26BrNO/c1-11-5-4-8-14(11)15(18)17-10-13-7-3-2-6-12(13)9-16/h11-14H,2-10H2,1H3,(H,17,18)
InChIKeyYMTKPRGAWZEGKC-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.74
Rot. Bonds4

About N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide

N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide (PubChem CID 107184223) has the molecular formula C15H26BrNO and a molecular weight of 316.28 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide
PubChem CID107184223
Molecular FormulaC15H26BrNO
Molecular Weight316.28 g/mol
Exact Mass315.12
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NCC1CCCCC1CBr
InChIInChI=1S/C15H26BrNO/c1-11-5-4-8-14(11)15(18)17-10-13-7-3-2-6-12(13)9-16/h11-14H,2-10H2,1H3,(H,17,18)
InChIKeyYMTKPRGAWZEGKC-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.74
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-amino-2-oxoethyl)-2-methylcyclohexane-1-carboxamide
CID 10420268
N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107184222
2-[(2-methylcyclopentanecarbonyl)amino]acetic acid
CID 107175041
2-[[2-(hydroxymethyl)cyclopentyl]methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 113361137
N-[(2-aminocyclohexyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 64928230
N-[[2-(bromomethyl)cyclohexyl]methyl]butanamide
CID 114317286
2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 107416685
4-amino-2-methyl-N-[(2-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 55116865
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-ethylbutanamide
CID 114317113
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
N-[(3-ethylpiperidin-2-yl)methyl]-2-methylcyclopentane-1-carboxamide
CID 107176843
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide
CID 103166815

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide (CID 107184223) is N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)NCC1CCCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is YMTKPRGAWZEGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO/c1-11-5-4-8-14(11)15(18)17-10-13-7-3-2-6-12(13)9-16/h11-14H,2-10H2,1H3,(H,17,18).
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107184223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).