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

C11H22BrN — CID 80690905

IUPAC3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
SMILESCC(C)(C)CCN1CCC(CBr)C1
InChIInChI=1S/C11H22BrN/c1-11(2,3)5-7-13-6-4-10(8-12)9-13/h10H,4-9H2,1-3H3
InChIKeyPDJJQDSDLVMLJJ-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.14
Rot. Bonds3

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

3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine (PubChem CID 80690905) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is 3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine.

Molecular Properties

Compound Name3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
PubChem CID80690905
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC Name3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
SMILESCC(C)(C)CCN1CCC(CBr)C1
InChIInChI=1S/C11H22BrN/c1-11(2,3)5-7-13-6-4-10(8-12)9-13/h10H,4-9H2,1-3H3
InChIKeyPDJJQDSDLVMLJJ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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

[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
3-(2-chloroethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 114800614
3-bromo-1-(3,3-dimethylbutyl)pyrrolidine
CID 80676426
1-(3,3-dimethylbutyl)pyrrolidin-3-ol
CID 18768948
1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine
CID 176826648
1-(3,3-dimethylbutyl)-3-(2,2-dimethylpropyl)pyrrolidine;1-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 161474195
3-(bromomethyl)-1-(2-butoxyethyl)pyrrolidine
CID 80691458
1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838867
4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine
CID 139341902
3-(2-bromoethyl)-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 114800427
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 115679530

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine?
The IUPAC name of 3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine (CID 80690905) is 3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine.
What is the SMILES notation for 3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine?
The canonical SMILES for 3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine is CC(C)(C)CCN1CCC(CBr)C1.
What is the InChIKey of 3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine?
The InChIKey is PDJJQDSDLVMLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN/c1-11(2,3)5-7-13-6-4-10(8-12)9-13/h10H,4-9H2,1-3H3.
What are the key properties of 3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine?
3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine has a molecular weight of 248.21 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine is sourced from PubChem (CID 80690905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).