3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine

C11H22BrN — CID 130656064

IUPAC3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine
SMILESCC(C)C(C)N1CCC(C)(CBr)C1
InChIInChI=1S/C11H22BrN/c1-9(2)10(3)13-6-5-11(4,7-12)8-13/h9-10H,5-8H2,1-4H3
InChIKeyYSYMECPBESZQBR-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.14
Rot. Bonds3

About 3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine

3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine (PubChem CID 130656064) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is 3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine
PubChem CID130656064
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC Name3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine
SMILESCC(C)C(C)N1CCC(C)(CBr)C1
InChIInChI=1S/C11H22BrN/c1-9(2)10(3)13-6-5-11(4,7-12)8-13/h9-10H,5-8H2,1-4H3
InChIKeyYSYMECPBESZQBR-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(fluoromethyl)-3-methyl-1-propan-2-ylpyrrolidine
CID 167200051
(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 83914161
2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
CID 130991676
3,3-dimethyl-1-(3-methylbutan-2-yl)-1,4-diazepane
CID 64944708
2-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-amine
CID 63156831
1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65064430
2-(4-ethyl-4-methylpiperidin-1-yl)propan-1-amine
CID 63157136
1-(bromomethyl)-1-methylcycloheptane
CID 131000310
ethane;1-(3-methylbutan-2-yl)pyrrolidine
CID 178106115
9-(3-methylbutan-2-yl)-6,9-diazaspiro[4.5]decane
CID 64923852
3-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]butan-2-ol
CID 131175976
[7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine
CID 170008782

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine?
The IUPAC name of 3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine (CID 130656064) is 3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine.
What is the SMILES notation for 3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine?
The canonical SMILES for 3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine is CC(C)C(C)N1CCC(C)(CBr)C1.
What is the InChIKey of 3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine?
The InChIKey is YSYMECPBESZQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN/c1-9(2)10(3)13-6-5-11(4,7-12)8-13/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine?
3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine has a molecular weight of 248.21 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-3-methyl-1-(3-methylbutan-2-yl)pyrrolidine is sourced from PubChem (CID 130656064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).