1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol

C12H25NO3 — CID 106992226

IUPAC1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCCC1CCN(CC(O)COCCOC)C1
InChIInChI=1S/C12H25NO3/c1-3-11-4-5-13(8-11)9-12(14)10-16-7-6-15-2/h11-12,14H,3-10H2,1-2H3
InChIKeyRLTKXWQZYFTLQV-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.74
Rot. Bonds8

About 1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol

1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106992226) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106992226
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCCC1CCN(CC(O)COCCOC)C1
InChIInChI=1S/C12H25NO3/c1-3-11-4-5-13(8-11)9-12(14)10-16-7-6-15-2/h11-12,14H,3-10H2,1-2H3
InChIKeyRLTKXWQZYFTLQV-UHFFFAOYSA-N
XLogP0.74
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
CID 115688741
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992691
1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992685
1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740
1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991971
1-butoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 107264166
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992152
1-methoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 63929272
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 112627641
1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol
CID 63930667

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol (CID 106992226) is 1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol is CCC1CCN(CC(O)COCCOC)C1.
What is the InChIKey of 1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is RLTKXWQZYFTLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-11-4-5-13(8-11)9-12(14)10-16-7-6-15-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106992226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).