2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine

C9H20N2O — CID 129322519

IUPAC2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine
SMILESCCOC[C@H]1CCN(CCN)C1
InChIInChI=1S/C9H20N2O/c1-2-12-8-9-3-5-11(7-9)6-4-10/h9H,2-8,10H2,1H3/t9-/m0/s1
InChIKeyXYGWCKPFPGWAHY-VIFPVBQESA-N
MW172.27 g/mol
LogP0.30
Rot. Bonds5

About 2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine

2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine (PubChem CID 129322519) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine
PubChem CID129322519
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine
SMILESCCOC[C@H]1CCN(CCN)C1
InChIInChI=1S/C9H20N2O/c1-2-12-8-9-3-5-11(7-9)6-4-10/h9H,2-8,10H2,1H3/t9-/m0/s1
InChIKeyXYGWCKPFPGWAHY-VIFPVBQESA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(ethoxymethyl)pyrrolidin-1-yl]ethanol
CID 121201448
(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134293
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 19846080
CID 167495443
CID 167495443
2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine
CID 131206914
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
ethane;3-(ethoxymethyl)-1-ethylpiperidine
CID 144871592
4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol
CID 111148113
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-N-ethylethanamine
CID 83963170
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine (CID 129322519) is 2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine is CCOC[C@H]1CCN(CCN)C1.
What is the InChIKey of 2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is XYGWCKPFPGWAHY-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-12-8-9-3-5-11(7-9)6-4-10/h9H,2-8,10H2,1H3/t9-/m0/s1.
What are the key properties of 2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine?
2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 129322519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).