2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine

C10H20BrN — CID 101024643

IUPAC2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(C)(C)CC1CBr
InChIInChI=1S/C10H20BrN/c1-8(2)12-7-10(3,4)5-9(12)6-11/h8-9H,5-7H2,1-4H3
InChIKeyGVNAOOKPGVXUAT-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.89
Rot. Bonds2

About 2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine

2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine (PubChem CID 101024643) has the molecular formula C10H20BrN and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine
PubChem CID101024643
Molecular FormulaC10H20BrN
Molecular Weight234.18 g/mol
Exact Mass233.08
IUPAC Name2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(C)(C)CC1CBr
InChIInChI=1S/C10H20BrN/c1-8(2)12-7-10(3,4)5-9(12)6-11/h8-9H,5-7H2,1-4H3
InChIKeyGVNAOOKPGVXUAT-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,4,4-Tetramethylpyrrolidine
CID 12172228
3-(Bromomethyl)-1-(propan-2-yl)pyrrolidine
CID 56737786
(2R,3R)-3-bromo-2,3-dimethyl-1-propan-2-ylpyrrolidine
CID 25198143
(2R,3S)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine
CID 130883159
1-(3-Bromopropyl)-2,5-dimethylpyrrolidine
CID 3023732
1-Ethyl-2,4,4-trimethylpyrrolidine
CID 11083986
2-Tert-butyl-1-methylpyrrolidine
CID 20588626
2-Tert-butyl-1-ethylpyrrolidine
CID 23529379
2,4,4-Trimethyl-1-(1-methylethyl)pyrrolidine
CID 45095972
(2R)-2-tert-butyl-1-methylpyrrolidine
CID 57861325
(2S)-2-tert-butyl-1-(deuteriomethyl)pyrrolidine
CID 59035477
(2S)-2-tert-butyl-1-methylpyrrolidine
CID 59106208

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine (CID 101024643) is 2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine is CC(C)N1CC(C)(C)CC1CBr.
What is the InChIKey of 2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine?
The InChIKey is GVNAOOKPGVXUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN/c1-8(2)12-7-10(3,4)5-9(12)6-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine?
2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine has a molecular weight of 234.18 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 101024643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).