1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine

C12H24N2O — CID 79181758

IUPAC1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine
SMILESCOC1CNC(CN2CC(C)C(C)C2)C1
InChIInChI=1S/C12H24N2O/c1-9-6-14(7-10(9)2)8-11-4-12(15-3)5-13-11/h9-13H,4-8H2,1-3H3
InChIKeyVEXXHYDASJFRGW-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.95
Rot. Bonds3

About 1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine

1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine (PubChem CID 79181758) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine.

Molecular Properties

Compound Name1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine
PubChem CID79181758
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine
SMILESCOC1CNC(CN2CC(C)C(C)C2)C1
InChIInChI=1S/C12H24N2O/c1-9-6-14(7-10(9)2)8-11-4-12(15-3)5-13-11/h9-13H,4-8H2,1-3H3
InChIKeyVEXXHYDASJFRGW-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine?
The IUPAC name of 1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine (CID 79181758) is 1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine.
What is the SMILES notation for 1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine?
The canonical SMILES for 1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine is COC1CNC(CN2CC(C)C(C)C2)C1.
What is the InChIKey of 1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine?
The InChIKey is VEXXHYDASJFRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-6-14(7-10(9)2)8-11-4-12(15-3)5-13-11/h9-13H,4-8H2,1-3H3.
What are the key properties of 1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine?
1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine has a molecular weight of 212.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxypyrrolidin-2-yl)methyl]-3,4-dimethylpyrrolidine is sourced from PubChem (CID 79181758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).