1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol

C11H22BrNO — CID 130658724

IUPAC1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol
SMILESCC(C)(CBr)CN1CCC(O)C1(C)C
InChIInChI=1S/C11H22BrNO/c1-10(2,7-12)8-13-6-5-9(14)11(13,3)4/h9,14H,5-8H2,1-4H3
InChIKeyDXSTULCGBSTUPA-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.25
Rot. Bonds3

About 1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol

1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol (PubChem CID 130658724) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol
PubChem CID130658724
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol
SMILESCC(C)(CBr)CN1CCC(O)C1(C)C
InChIInChI=1S/C11H22BrNO/c1-10(2,7-12)8-13-6-5-9(14)11(13,3)4/h9,14H,5-8H2,1-4H3
InChIKeyDXSTULCGBSTUPA-UHFFFAOYSA-N
XLogP2.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol
CID 65000596
1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol
CID 131067156
1-(2-methoxyethyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016800
(3R)-1-tert-butyl-2,2-dimethylpyrrolidin-3-ol
CID 168820539
1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol
CID 131114201
1-benzyl-2,2-dimethylpyrrolidin-3-ol
CID 83848241
1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine
CID 64999964
2-(3-bromo-2,2-dimethylpropyl)-2-azabicyclo[2.2.2]octane
CID 130595145
1-[4-(3-bromo-2,2-dimethylpropyl)piperazin-1-yl]ethanone
CID 65000467
3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine
CID 130673738
3-hydroxy-2,2-dimethylpyrrolidine-1-carbonitrile
CID 127014466
1-(3-bromo-2,2-dimethylpropyl)-4-propylazepane
CID 64997751

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol (CID 130658724) is 1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol is CC(C)(CBr)CN1CCC(O)C1(C)C.
What is the InChIKey of 1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol?
The InChIKey is DXSTULCGBSTUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-10(2,7-12)8-13-6-5-9(14)11(13,3)4/h9,14H,5-8H2,1-4H3.
What are the key properties of 1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol?
1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol has a molecular weight of 264.21 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 130658724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).