1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine

C11H22N2 — CID 116679483

IUPAC1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine
SMILESCC(CN1CCCC1C)C1CNC1
InChIInChI=1S/C11H22N2/c1-9(11-6-12-7-11)8-13-5-3-4-10(13)2/h9-12H,3-8H2,1-2H3
InChIKeyYADFYXHCFAKIHV-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.33
Rot. Bonds3

About 1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine

1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine (PubChem CID 116679483) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine
PubChem CID116679483
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine
SMILESCC(CN1CCCC1C)C1CNC1
InChIInChI=1S/C11H22N2/c1-9(11-6-12-7-11)8-13-5-3-4-10(13)2/h9-12H,3-8H2,1-2H3
InChIKeyYADFYXHCFAKIHV-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine?
The IUPAC name of 1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine (CID 116679483) is 1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine.
What is the SMILES notation for 1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine?
The canonical SMILES for 1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine is CC(CN1CCCC1C)C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine?
The InChIKey is YADFYXHCFAKIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(11-6-12-7-11)8-13-5-3-4-10(13)2/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine?
1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine has a molecular weight of 182.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine is sourced from PubChem (CID 116679483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).