2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine

C17H26N2 — CID 177005554

IUPAC2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine
SMILESCN1CCC(C)(C2CCNC2)C1Cc1ccccc1
InChIInChI=1S/C17H26N2/c1-17(15-8-10-18-13-15)9-11-19(2)16(17)12-14-6-4-3-5-7-14/h3-7,15-16,18H,8-13H2,1-2H3
InChIKeyMQDFZZWVHOABOF-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.55
Rot. Bonds3

About 2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine

2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine (PubChem CID 177005554) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine.

Molecular Properties

Compound Name2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine
PubChem CID177005554
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine
SMILESCN1CCC(C)(C2CCNC2)C1Cc1ccccc1
InChIInChI=1S/C17H26N2/c1-17(15-8-10-18-13-15)9-11-19(2)16(17)12-14-6-4-3-5-7-14/h3-7,15-16,18H,8-13H2,1-2H3
InChIKeyMQDFZZWVHOABOF-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine?
The IUPAC name of 2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine (CID 177005554) is 2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine.
What is the SMILES notation for 2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine?
The canonical SMILES for 2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine is CN1CCC(C)(C2CCNC2)C1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine?
The InChIKey is MQDFZZWVHOABOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-17(15-8-10-18-13-15)9-11-19(2)16(17)12-14-6-4-3-5-7-14/h3-7,15-16,18H,8-13H2,1-2H3.
What are the key properties of 2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine?
2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine has a molecular weight of 258.41 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-dimethyl-3-pyrrolidin-3-ylpyrrolidine is sourced from PubChem (CID 177005554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).