2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine

C20H31N — CID 59020075

IUPAC2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine
SMILESCc1ccc(C2(CCN3C(C)CCC3C)CCCC2)cc1
InChIInChI=1S/C20H31N/c1-16-6-10-19(11-7-16)20(12-4-5-13-20)14-15-21-17(2)8-9-18(21)3/h6-7,10-11,17-18H,4-5,8-9,12-15H2,1-3H3
InChIKeyJYMUMEHGLOZXKF-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.07
Rot. Bonds4

About 2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine

2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine (PubChem CID 59020075) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine.

Molecular Properties

Compound Name2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine
PubChem CID59020075
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine
SMILESCc1ccc(C2(CCN3C(C)CCC3C)CCCC2)cc1
InChIInChI=1S/C20H31N/c1-16-6-10-19(11-7-16)20(12-4-5-13-20)14-15-21-17(2)8-9-18(21)3/h6-7,10-11,17-18H,4-5,8-9,12-15H2,1-3H3
InChIKeyJYMUMEHGLOZXKF-UHFFFAOYSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine 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 2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine?
The IUPAC name of 2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine (CID 59020075) is 2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine.
What is the SMILES notation for 2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine?
The canonical SMILES for 2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine is Cc1ccc(C2(CCN3C(C)CCC3C)CCCC2)cc1.
What is the InChIKey of 2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine?
The InChIKey is JYMUMEHGLOZXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-16-6-10-19(11-7-16)20(12-4-5-13-20)14-15-21-17(2)8-9-18(21)3/h6-7,10-11,17-18H,4-5,8-9,12-15H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine?
2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine has a molecular weight of 285.48 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]pyrrolidine is sourced from PubChem (CID 59020075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).