2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine

C29H30N2 — CID 143922780

IUPAC2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine
SMILESc1ccc2c(C3CCCN3CN3CCCC3c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C29H30N2/c1-3-13-24-22(9-1)11-5-15-26(24)28-17-7-19-30(28)21-31-20-8-18-29(31)27-16-6-12-23-10-2-4-14-25(23)27/h1-6,9-16,28-29H,7-8,17-21H2
InChIKeyIDZHEVWINRUJCZ-UHFFFAOYSA-N
MW406.57 g/mol
LogP6.92
Rot. Bonds4

About 2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine

2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine (PubChem CID 143922780) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine
PubChem CID143922780
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC Name2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine
SMILESc1ccc2c(C3CCCN3CN3CCCC3c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C29H30N2/c1-3-13-24-22(9-1)11-5-15-26(24)28-17-7-19-30(28)21-31-20-8-18-29(31)27-16-6-12-23-10-2-4-14-25(23)27/h1-6,9-16,28-29H,7-8,17-21H2
InChIKeyIDZHEVWINRUJCZ-UHFFFAOYSA-N
XLogP6.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine?
The IUPAC name of 2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine (CID 143922780) is 2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine?
The canonical SMILES for 2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine is c1ccc2c(C3CCCN3CN3CCCC3c3cccc4ccccc34)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine?
The InChIKey is IDZHEVWINRUJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2/c1-3-13-24-22(9-1)11-5-15-26(24)28-17-7-19-30(28)21-31-20-8-18-29(31)27-16-6-12-23-10-2-4-14-25(23)27/h1-6,9-16,28-29H,7-8,17-21H2.
What are the key properties of 2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine?
2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine has a molecular weight of 406.57 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine is sourced from PubChem (CID 143922780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).