2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine

C8H18N2 — CID 124676173

IUPAC2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine
SMILESCC[C@H]1CN[C@H](CCN)C1
InChIInChI=1S/C8H18N2/c1-2-7-5-8(3-4-9)10-6-7/h7-8,10H,2-6,9H2,1H3/t7-,8-/m1/s1
InChIKeyXSNSDFMWDHFAQK-HTQZYQBOSA-N
MW142.25 g/mol
LogP0.72
Rot. Bonds3

About 2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine

2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine (PubChem CID 124676173) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine
PubChem CID124676173
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine
SMILESCC[C@H]1CN[C@H](CCN)C1
InChIInChI=1S/C8H18N2/c1-2-7-5-8(3-4-9)10-6-7/h7-8,10H,2-6,9H2,1H3/t7-,8-/m1/s1
InChIKeyXSNSDFMWDHFAQK-HTQZYQBOSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine
CID 97297925
4-ethyl-2-methylpyrrolidine
CID 23313713
(2R,4R)-2-ethyl-4-(methoxymethyl)pyrrolidine
CID 178147098
[(2S,4R)-4-propylpyrrolidin-2-yl]methanol
CID 89351797
(2S)-4-ethylpyrrolidine-2-carboxamide
CID 130681578
2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine
CID 131048640
(4-methoxypyrrolidin-2-yl)methanamine
CID 61214968
[4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol
CID 117270746
4-ethyl-2-(3-methoxy-3-methylbutyl)piperidine
CID 103037375
1-(4-ethylpyrrolidin-2-yl)propan-1-one
CID 176934348
3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid
CID 101205272
2-[(2R,4S)-4-methoxypyrrolidin-2-yl]ethanol
CID 155821329

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine?
The IUPAC name of 2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine (CID 124676173) is 2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine.
What is the SMILES notation for 2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine?
The canonical SMILES for 2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine is CC[C@H]1CN[C@H](CCN)C1.
What is the InChIKey of 2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine?
The InChIKey is XSNSDFMWDHFAQK-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-7-5-8(3-4-9)10-6-7/h7-8,10H,2-6,9H2,1H3/t7-,8-/m1/s1.
What are the key properties of 2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine?
2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine has a molecular weight of 142.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine is sourced from PubChem (CID 124676173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).