2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine

C12H24BrNO — CID 106457903

IUPAC2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
SMILESCC(C)COCCN1CCC(C)C1CBr
InChIInChI=1S/C12H24BrNO/c1-10(2)9-15-7-6-14-5-4-11(3)12(14)8-13/h10-12H,4-9H2,1-3H3
InChIKeyHRWZUJFAGCJFCJ-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.76
Rot. Bonds6

About 2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine

2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine (PubChem CID 106457903) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
PubChem CID106457903
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC Name2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
SMILESCC(C)COCCN1CCC(C)C1CBr
InChIInChI=1S/C12H24BrNO/c1-10(2)9-15-7-6-14-5-4-11(3)12(14)8-13/h10-12H,4-9H2,1-3H3
InChIKeyHRWZUJFAGCJFCJ-UHFFFAOYSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
CID 106457738
2-(bromomethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine
CID 102785685
2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine
CID 102785677
3-bromo-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457919
2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine
CID 102785354
2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine
CID 102785264
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol
CID 102786734
[3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol
CID 106456281
2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid
CID 106744761
4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidin-3-amine
CID 106455019
4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457766
1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
CID 106457754

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine?
The IUPAC name of 2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine (CID 106457903) is 2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine is CC(C)COCCN1CCC(C)C1CBr.
What is the InChIKey of 2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine?
The InChIKey is HRWZUJFAGCJFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-10(2)9-15-7-6-14-5-4-11(3)12(14)8-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine?
2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine has a molecular weight of 278.23 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine is sourced from PubChem (CID 106457903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).