2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine

C11H22N2 — CID 58468058

IUPAC2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine
SMILESCC(C)C1CCCN1C1CCNC1
InChIInChI=1S/C11H22N2/c1-9(2)11-4-3-7-13(11)10-5-6-12-8-10/h9-12H,3-8H2,1-2H3
InChIKeyUDHKBUAVTIRAEP-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds2

About 2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine

2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine (PubChem CID 58468058) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine.

Molecular Properties

Compound Name2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine
PubChem CID58468058
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine
SMILESCC(C)C1CCCN1C1CCNC1
InChIInChI=1S/C11H22N2/c1-9(2)11-4-3-7-13(11)10-5-6-12-8-10/h9-12H,3-8H2,1-2H3
InChIKeyUDHKBUAVTIRAEP-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine?
The IUPAC name of 2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine (CID 58468058) is 2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine.
What is the SMILES notation for 2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine?
The canonical SMILES for 2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine is CC(C)C1CCCN1C1CCNC1.
What is the InChIKey of 2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine?
The InChIKey is UDHKBUAVTIRAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)11-4-3-7-13(11)10-5-6-12-8-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine?
2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-pyrrolidin-3-ylpyrrolidine is sourced from PubChem (CID 58468058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).