N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide

C13H24BrNO — CID 107184210

IUPACN-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(C)C(CBr)NC(=O)C1CCCC1(C)C
InChIInChI=1S/C13H24BrNO/c1-9(2)11(8-14)15-12(16)10-6-5-7-13(10,3)4/h9-11H,5-8H2,1-4H3,(H,15,16)
InChIKeyGFXZDCWQDMOBOD-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.35
Rot. Bonds4

About N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide

N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107184210) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107184210
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC NameN-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(C)C(CBr)NC(=O)C1CCCC1(C)C
InChIInChI=1S/C13H24BrNO/c1-9(2)11(8-14)15-12(16)10-6-5-7-13(10,3)4/h9-11H,5-8H2,1-4H3,(H,15,16)
InChIKeyGFXZDCWQDMOBOD-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.35
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-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180427
N-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107859802
(2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
CID 107175295
N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920362
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 107175022
N-(4-bromobutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184530
5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid
CID 107175880
(2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid
CID 107175360
2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 107178837
N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 114316175
N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107184708
3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
CID 112734984

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide (CID 107184210) is N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide is CC(C)C(CBr)NC(=O)C1CCCC1(C)C.
What is the InChIKey of N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is GFXZDCWQDMOBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-9(2)11(8-14)15-12(16)10-6-5-7-13(10,3)4/h9-11H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107184210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).