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

C12H25NO3 — CID 106991786

IUPAC1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCCC1CCCN1CC(O)COCCOC
InChIInChI=1S/C12H25NO3/c1-3-11-5-4-6-13(11)9-12(14)10-16-8-7-15-2/h11-12,14H,3-10H2,1-2H3
InChIKeyCBSCOFFGJPNAGY-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.88
Rot. Bonds8

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

1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106991786) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106991786
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCCC1CCCN1CC(O)COCCOC
InChIInChI=1S/C12H25NO3/c1-3-11-5-4-6-13(11)9-12(14)10-16-8-7-15-2/h11-12,14H,3-10H2,1-2H3
InChIKeyCBSCOFFGJPNAGY-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
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-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993028
1-butoxy-3-(2-ethylazepan-1-yl)propan-2-ol
CID 107263966
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
CID 106991388
1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993034
1-(2-ethylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991719
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 63978859
1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991982
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992140
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid
CID 63933195
1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 113441633
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol
CID 63931720
1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-2-amine
CID 62477150

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol (CID 106991786) is 1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol is CCC1CCCN1CC(O)COCCOC.
What is the InChIKey of 1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is CBSCOFFGJPNAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-11-5-4-6-13(11)9-12(14)10-16-8-7-15-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol?
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106991786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).