2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine

C11H22BrN — CID 102785264

IUPAC2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine
SMILESCCC(C)CN1CCC(C)C1CBr
InChIInChI=1S/C11H22BrN/c1-4-9(2)8-13-6-5-10(3)11(13)7-12/h9-11H,4-8H2,1-3H3
InChIKeyDQRVBVUQDAVUNJ-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.14
Rot. Bonds4

About 2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine

2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine (PubChem CID 102785264) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine
PubChem CID102785264
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC Name2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine
SMILESCCC(C)CN1CCC(C)C1CBr
InChIInChI=1S/C11H22BrN/c1-4-9(2)8-13-6-5-10(3)11(13)7-12/h9-11H,4-8H2,1-3H3
InChIKeyDQRVBVUQDAVUNJ-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine
CID 102784417
2-(bromomethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine
CID 102785685
2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
CID 106457903
(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine
CID 130645010
2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine
CID 102785677
2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine
CID 102785354
2-(bromomethyl)-1,3-dimethylpyrrolidine
CID 102785593
[1-(2,2-diethoxyethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102782497
3-chloro-4-methyl-1-(2-methylbutyl)piperidine
CID 102959883
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide
CID 102788879
2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine
CID 102785459
[(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol
CID 79028743

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine?
The IUPAC name of 2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine (CID 102785264) is 2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine is CCC(C)CN1CCC(C)C1CBr.
What is the InChIKey of 2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine?
The InChIKey is DQRVBVUQDAVUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN/c1-4-9(2)8-13-6-5-10(3)11(13)7-12/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine?
2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine has a molecular weight of 248.21 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine is sourced from PubChem (CID 102785264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).