1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine

C26H32N2 — CID 21292588

IUPAC1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine
SMILESC=CC=C(c1ccc(N2CCCC2)c(C)c1)c1ccc(N2CCCC2)c(C)c1
InChIInChI=1S/C26H32N2/c1-4-9-24(22-10-12-25(20(2)18-22)27-14-5-6-15-27)23-11-13-26(21(3)19-23)28-16-7-8-17-28/h4,9-13,18-19H,1,5-8,14-17H2,2-3H3
InChIKeyUUKLWFIERLUYDC-UHFFFAOYSA-N
MW372.56 g/mol
LogP6.12
Rot. Bonds5

About 1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine

1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine (PubChem CID 21292588) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine
PubChem CID21292588
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine
SMILESC=CC=C(c1ccc(N2CCCC2)c(C)c1)c1ccc(N2CCCC2)c(C)c1
InChIInChI=1S/C26H32N2/c1-4-9-24(22-10-12-25(20(2)18-22)27-14-5-6-15-27)23-11-13-26(21(3)19-23)28-16-7-8-17-28/h4,9-13,18-19H,1,5-8,14-17H2,2-3H3
InChIKeyUUKLWFIERLUYDC-UHFFFAOYSA-N
XLogP6.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]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 1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine?
The IUPAC name of 1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine (CID 21292588) is 1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine.
What is the SMILES notation for 1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine?
The canonical SMILES for 1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine is C=CC=C(c1ccc(N2CCCC2)c(C)c1)c1ccc(N2CCCC2)c(C)c1.
What is the InChIKey of 1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine?
The InChIKey is UUKLWFIERLUYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-4-9-24(22-10-12-25(20(2)18-22)27-14-5-6-15-27)23-11-13-26(21(3)19-23)28-16-7-8-17-28/h4,9-13,18-19H,1,5-8,14-17H2,2-3H3.
What are the key properties of 1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine?
1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine has a molecular weight of 372.56 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[1-(3-methyl-4-pyrrolidin-1-ylphenyl)buta-1,3-dienyl]phenyl]pyrrolidine is sourced from PubChem (CID 21292588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).