3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine

C11H22N2 — CID 81460841

IUPAC3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine
SMILESCC1CNCC1N1CCC(C)(C)C1
InChIInChI=1S/C11H22N2/c1-9-6-12-7-10(9)13-5-4-11(2,3)8-13/h9-10,12H,4-8H2,1-3H3
InChIKeyXLNMEKXRUAMBDI-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.33
Rot. Bonds1

About 3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine

3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine (PubChem CID 81460841) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine
PubChem CID81460841
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine
SMILESCC1CNCC1N1CCC(C)(C)C1
InChIInChI=1S/C11H22N2/c1-9-6-12-7-10(9)13-5-4-11(2,3)8-13/h9-10,12H,4-8H2,1-3H3
InChIKeyXLNMEKXRUAMBDI-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine?
The IUPAC name of 3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine (CID 81460841) is 3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine.
What is the SMILES notation for 3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine?
The canonical SMILES for 3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine is CC1CNCC1N1CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine?
The InChIKey is XLNMEKXRUAMBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9-6-12-7-10(9)13-5-4-11(2,3)8-13/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine?
3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine has a molecular weight of 182.31 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-methylpyrrolidin-3-yl)pyrrolidine is sourced from PubChem (CID 81460841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).