2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine

C8H18N2O — CID 54254471

IUPAC2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine
SMILESCOC1C[C@@H](CCN)N(C)C1
InChIInChI=1S/C8H18N2O/c1-10-6-8(11-2)5-7(10)3-4-9/h7-8H,3-6,9H2,1-2H3/t7-,8?/m1/s1
InChIKeyQZAPNAUZKFYFOT-GVHYBUMESA-N
MW158.24 g/mol
LogP0.05
Rot. Bonds3

About 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine

2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine (PubChem CID 54254471) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine
PubChem CID54254471
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine
SMILESCOC1C[C@@H](CCN)N(C)C1
InChIInChI=1S/C8H18N2O/c1-10-6-8(11-2)5-7(10)3-4-9/h7-8H,3-6,9H2,1-2H3/t7-,8?/m1/s1
InChIKeyQZAPNAUZKFYFOT-GVHYBUMESA-N
XLogP0.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine?
The IUPAC name of 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine (CID 54254471) is 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine.
What is the SMILES notation for 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine?
The canonical SMILES for 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine is COC1C[C@@H](CCN)N(C)C1.
What is the InChIKey of 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine?
The InChIKey is QZAPNAUZKFYFOT-GVHYBUMESA-N. The full InChI is InChI=1S/C8H18N2O/c1-10-6-8(11-2)5-7(10)3-4-9/h7-8H,3-6,9H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine?
2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine has a molecular weight of 158.24 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]ethanamine is sourced from PubChem (CID 54254471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).