1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide

C10H18BrNO — CID 130778437

IUPAC1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)(C)CNC(=O)C1(Br)CCC1
InChIInChI=1S/C10H18BrNO/c1-9(2,3)7-12-8(13)10(11)5-4-6-10/h4-7H2,1-3H3,(H,12,13)
InChIKeyARHWPPOXHHEDGL-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.47
Rot. Bonds2

About 1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide

1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide (PubChem CID 130778437) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide
PubChem CID130778437
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)(C)CNC(=O)C1(Br)CCC1
InChIInChI=1S/C10H18BrNO/c1-9(2,3)7-12-8(13)10(11)5-4-6-10/h4-7H2,1-3H3,(H,12,13)
InChIKeyARHWPPOXHHEDGL-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.47
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-(2,2-dimethylpropyl)-1-hydroxycyclobutane-1-carboxamide
CID 126988304
N-(2,2-dimethylpropyl)-1-fluorocyclobutane-1-carboxamide
CID 130735439
1-bromo-N-[(2R)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 130703863
1-carbamothioyl-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide
CID 80590145
N-(2,2-dimethylpropyl)bicyclo[1.1.0]butane-1-carboxamide
CID 176757917
1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
CID 59860392
1-bromocyclobutane-1-carbohydrazide
CID 130652448
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide
CID 113310485
N-(2-hydroxy-2-methylpropyl)-1-methylcyclopentane-1-carboxamide
CID 79039696
1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246491
N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980333

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide (CID 130778437) is 1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide is CC(C)(C)CNC(=O)C1(Br)CCC1.
What is the InChIKey of 1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide?
The InChIKey is ARHWPPOXHHEDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-9(2,3)7-12-8(13)10(11)5-4-6-10/h4-7H2,1-3H3,(H,12,13).
What are the key properties of 1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide?
1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide has a molecular weight of 248.16 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2,2-dimethylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 130778437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).