2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine

C11H22BrN — CID 80675460

IUPAC2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
SMILESCC(C)(C)CCN1CCCC1CBr
InChIInChI=1S/C11H22BrN/c1-11(2,3)6-8-13-7-4-5-10(13)9-12/h10H,4-9H2,1-3H3
InChIKeyFXRXLXYJWGLURO-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.28
Rot. Bonds3

About 2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine

2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine (PubChem CID 80675460) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
PubChem CID80675460
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC Name2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
SMILESCC(C)(C)CCN1CCCC1CBr
InChIInChI=1S/C11H22BrN/c1-11(2,3)6-8-13-7-4-5-10(13)9-12/h10H,4-9H2,1-3H3
InChIKeyFXRXLXYJWGLURO-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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

N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581816
1-(2-bromoethyl)-2-ethylpyrrolidine
CID 61288740
2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine
CID 104649764
1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole
CID 99825714
2-(3,3-dimethylbutyl)-1-ethylpyrrolidine
CID 58110544
2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
CID 106457738
2-(bromomethyl)-1-heptylpiperidine
CID 80673779
2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine
CID 106731157
2-(bromomethyl)-1-(2-ethoxyethyl)piperidine
CID 80674315
2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol
CID 115316873
[(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol
CID 102977101
2-(bromomethyl)-1-(3-pyrrolidin-1-ylpropyl)azepane
CID 116638388

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine (CID 80675460) is 2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine is CC(C)(C)CCN1CCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine?
The InChIKey is FXRXLXYJWGLURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN/c1-11(2,3)6-8-13-7-4-5-10(13)9-12/h10H,4-9H2,1-3H3.
What are the key properties of 2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine?
2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine has a molecular weight of 248.21 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine is sourced from PubChem (CID 80675460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).