2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine

C18H28N2 — CID 104869393

IUPAC2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(C)c(CN2CCCC2C2CCCN2)cc1C
InChIInChI=1S/C18H28N2/c1-13-10-15(3)16(11-14(13)2)12-20-9-5-7-18(20)17-6-4-8-19-17/h10-11,17-19H,4-9,12H2,1-3H3
InChIKeyZUMYMWGBZNAWQN-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.33
Rot. Bonds3

About 2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine

2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine (PubChem CID 104869393) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine
PubChem CID104869393
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(C)c(CN2CCCC2C2CCCN2)cc1C
InChIInChI=1S/C18H28N2/c1-13-10-15(3)16(11-14(13)2)12-20-9-5-7-18(20)17-6-4-8-19-17/h10-11,17-19H,4-9,12H2,1-3H3
InChIKeyZUMYMWGBZNAWQN-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine 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-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 55054099
1-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62275065
1-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62274395
1-[(2-bromo-5-chlorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 66157263
1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273875
1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273349
3-methyl-2-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyridine
CID 112650958
3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 62274768
1-(2-fluoroethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 80693813
3-fluoro-4-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]benzamide
CID 62274944
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
(1S,7R)-2-benzyl-2,8-diazabicyclo[5.5.0]dodecane
CID 178143612

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine (CID 104869393) is 2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine is Cc1cc(C)c(CN2CCCC2C2CCCN2)cc1C.
What is the InChIKey of 2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine?
The InChIKey is ZUMYMWGBZNAWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-10-15(3)16(11-14(13)2)12-20-9-5-7-18(20)17-6-4-8-19-17/h10-11,17-19H,4-9,12H2,1-3H3.
What are the key properties of 2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine?
2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine has a molecular weight of 272.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 104869393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).