2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine

C22H42N4 — CID 123209438

IUPAC2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine
SMILESCC1CCC(C(C2CCC(C)N2)C(C2CCC(C)N2)C2CCC(C)N2)N1
InChIInChI=1S/C22H42N4/c1-13-5-9-17(23-13)21(18-10-6-14(2)24-18)22(19-11-7-15(3)25-19)20-12-8-16(4)26-20/h13-26H,5-12H2,1-4H3
InChIKeyLAFUSNRSCFLJQL-UHFFFAOYSA-N
MW362.61 g/mol
LogP2.78
Rot. Bonds5

About 2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine

2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine (PubChem CID 123209438) has the molecular formula C22H42N4 and a molecular weight of 362.61 g/mol. Its IUPAC name is 2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine
PubChem CID123209438
Molecular FormulaC22H42N4
Molecular Weight362.61 g/mol
Exact Mass362.34
IUPAC Name2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine
SMILESCC1CCC(C(C2CCC(C)N2)C(C2CCC(C)N2)C2CCC(C)N2)N1
InChIInChI=1S/C22H42N4/c1-13-5-9-17(23-13)21(18-10-6-14(2)24-18)22(19-11-7-15(3)25-19)20-12-8-16(4)26-20/h13-26H,5-12H2,1-4H3
InChIKeyLAFUSNRSCFLJQL-UHFFFAOYSA-N
XLogP2.78
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.61
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine?
The IUPAC name of 2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine (CID 123209438) is 2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine is CC1CCC(C(C2CCC(C)N2)C(C2CCC(C)N2)C2CCC(C)N2)N1.
What is the InChIKey of 2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine?
The InChIKey is LAFUSNRSCFLJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4/c1-13-5-9-17(23-13)21(18-10-6-14(2)24-18)22(19-11-7-15(3)25-19)20-12-8-16(4)26-20/h13-26H,5-12H2,1-4H3.
What are the key properties of 2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine?
2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine has a molecular weight of 362.61 g/mol, XLogP of 2.78, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1,2,2-tris(5-methylpyrrolidin-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 123209438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).