1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine

C8H18N2O — CID 166901707

IUPAC1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
SMILESCOCC1CCN(C(C)N)C1
InChIInChI=1S/C8H18N2O/c1-7(9)10-4-3-8(5-10)6-11-2/h7-8H,3-6,9H2,1-2H3
InChIKeyJQLBJETVSHNUBC-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.26
Rot. Bonds3

About 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine

1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine (PubChem CID 166901707) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
PubChem CID166901707
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
SMILESCOCC1CCN(C(C)N)C1
InChIInChI=1S/C8H18N2O/c1-7(9)10-4-3-8(5-10)6-11-2/h7-8H,3-6,9H2,1-2H3
InChIKeyJQLBJETVSHNUBC-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine (CID 166901707) is 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine is COCC1CCN(C(C)N)C1.
What is the InChIKey of 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is JQLBJETVSHNUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(9)10-4-3-8(5-10)6-11-2/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine has a molecular weight of 158.24 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 166901707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).