2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine

C12H24BrN — CID 80691753

IUPAC2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine
SMILESCC(C)CCN1CCCC1CCCBr
InChIInChI=1S/C12H24BrN/c1-11(2)7-10-14-9-4-6-12(14)5-3-8-13/h11-12H,3-10H2,1-2H3
InChIKeyGPJICRBIFBTGHT-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.67
Rot. Bonds6

About 2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine

2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine (PubChem CID 80691753) has the molecular formula C12H24BrN and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine
PubChem CID80691753
Molecular FormulaC12H24BrN
Molecular Weight262.23 g/mol
Exact Mass261.11
IUPAC Name2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine
SMILESCC(C)CCN1CCCC1CCCBr
InChIInChI=1S/C12H24BrN/c1-11(2)7-10-14-9-4-6-12(14)5-3-8-13/h11-12H,3-10H2,1-2H3
InChIKeyGPJICRBIFBTGHT-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.67
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

2-(3-bromopropyl)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine
CID 106731203
[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 93497649
1-[4-[1-(3-methylbutyl)pyrrolidin-2-yl]butyl]piperidin-4-amine
CID 155082325
3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 114526692
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413123
2-(3-bromopropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 80690357
2-(2-chloroethyl)-1-(4-methylpentyl)piperidine
CID 83169323
5-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole
CID 80690501
1-[2-[2-(3-bromopropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 80691757
1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine
CID 165463199
5-[[2-(3-bromopropyl)pyrrolidin-1-yl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 80689947

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine?
The IUPAC name of 2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine (CID 80691753) is 2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine?
The canonical SMILES for 2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine is CC(C)CCN1CCCC1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine?
The InChIKey is GPJICRBIFBTGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN/c1-11(2)7-10-14-9-4-6-12(14)5-3-8-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine?
2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine has a molecular weight of 262.23 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine is sourced from PubChem (CID 80691753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).