2-(bromomethyl)-1,3-dimethylpyrrolidine

C7H14BrN — CID 102785593

IUPAC2-(bromomethyl)-1,3-dimethylpyrrolidine
SMILESCC1CCN(C)C1CBr
InChIInChI=1S/C7H14BrN/c1-6-3-4-9(2)7(6)5-8/h6-7H,3-5H2,1-2H3
InChIKeyJMKKTGGXSKEZAP-UHFFFAOYSA-N
MW192.10 g/mol
LogP1.72
Rot. Bonds1

About 2-(bromomethyl)-1,3-dimethylpyrrolidine

2-(bromomethyl)-1,3-dimethylpyrrolidine (PubChem CID 102785593) has the molecular formula C7H14BrN and a molecular weight of 192.10 g/mol. Its IUPAC name is 2-(bromomethyl)-1,3-dimethylpyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1,3-dimethylpyrrolidine
PubChem CID102785593
Molecular FormulaC7H14BrN
Molecular Weight192.10 g/mol
Exact Mass191.03
IUPAC Name2-(bromomethyl)-1,3-dimethylpyrrolidine
SMILESCC1CCN(C)C1CBr
InChIInChI=1S/C7H14BrN/c1-6-3-4-9(2)7(6)5-8/h6-7H,3-5H2,1-2H3
InChIKeyJMKKTGGXSKEZAP-UHFFFAOYSA-N
XLogP1.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 51.72
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

(1,3-dimethylpyrrolidin-2-yl)methanamine
CID 58841122
1-(1,3-dimethylpyrrolidin-2-yl)-N-methylmethanamine
CID 139356990
(2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine
CID 58149350
2-(bromomethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine
CID 102785685
ethane;2-(ethoxymethyl)-1,3-dimethylpyrrolidine
CID 142151943
2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine
CID 102785677
2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine
CID 102785354
2-(azidomethyl)-1,3-dimethylpyrrolidine
CID 58841086
2-[(3R)-1,3-dimethylpyrrolidin-2-yl]acetamide
CID 121479469
1-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102787949
(2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol
CID 164537384
2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
CID 106457903

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1,3-dimethylpyrrolidine?
The IUPAC name of 2-(bromomethyl)-1,3-dimethylpyrrolidine (CID 102785593) is 2-(bromomethyl)-1,3-dimethylpyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1,3-dimethylpyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1,3-dimethylpyrrolidine is CC1CCN(C)C1CBr.
What is the InChIKey of 2-(bromomethyl)-1,3-dimethylpyrrolidine?
The InChIKey is JMKKTGGXSKEZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrN/c1-6-3-4-9(2)7(6)5-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(bromomethyl)-1,3-dimethylpyrrolidine?
2-(bromomethyl)-1,3-dimethylpyrrolidine has a molecular weight of 192.10 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1,3-dimethylpyrrolidine is sourced from PubChem (CID 102785593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).