1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine

C16H23N — CID 135038748

IUPAC1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine
SMILESC=CCC1(C)CC(C)N(Cc2ccccc2)C1
InChIInChI=1S/C16H23N/c1-4-10-16(3)11-14(2)17(13-16)12-15-8-6-5-7-9-15/h4-9,14H,1,10-13H2,2-3H3
InChIKeyDBTBJJGTVBAFFU-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.86
Rot. Bonds4

About 1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine

1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine (PubChem CID 135038748) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine
PubChem CID135038748
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine
SMILESC=CCC1(C)CC(C)N(Cc2ccccc2)C1
InChIInChI=1S/C16H23N/c1-4-10-16(3)11-14(2)17(13-16)12-15-8-6-5-7-9-15/h4-9,14H,1,10-13H2,2-3H3
InChIKeyDBTBJJGTVBAFFU-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine?
The IUPAC name of 1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine (CID 135038748) is 1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine.
What is the SMILES notation for 1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine?
The canonical SMILES for 1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine is C=CCC1(C)CC(C)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine?
The InChIKey is DBTBJJGTVBAFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-10-16(3)11-14(2)17(13-16)12-15-8-6-5-7-9-15/h4-9,14H,1,10-13H2,2-3H3.
What are the key properties of 1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine?
1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine has a molecular weight of 229.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,4-dimethyl-4-prop-2-enylpyrrolidine is sourced from PubChem (CID 135038748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).