1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine

C12H22N4O — CID 106553526

IUPAC1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1c1nccn1CCOC
InChIInChI=1S/C12H22N4O/c1-13-10-11-4-3-6-16(11)12-14-5-7-15(12)8-9-17-2/h5,7,11,13H,3-4,6,8-10H2,1-2H3
InChIKeyYSEUBMROHOXISJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.72
Rot. Bonds6

About 1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine

1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 106553526) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID106553526
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1c1nccn1CCOC
InChIInChI=1S/C12H22N4O/c1-13-10-11-4-3-6-16(11)12-14-5-7-15(12)8-9-17-2/h5,7,11,13H,3-4,6,8-10H2,1-2H3
InChIKeyYSEUBMROHOXISJ-UHFFFAOYSA-N
XLogP0.72
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine (CID 106553526) is 1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1c1nccn1CCOC.
What is the InChIKey of 1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is YSEUBMROHOXISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-13-10-11-4-3-6-16(11)12-14-5-7-15(12)8-9-17-2/h5,7,11,13H,3-4,6,8-10H2,1-2H3.
What are the key properties of 1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106553526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).