3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol

C11H24N2O3 — CID 114761139

IUPAC3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
SMILESCOCCOCCN(C)CC1(O)CCNC1
InChIInChI=1S/C11H24N2O3/c1-13(5-6-16-8-7-15-2)10-11(14)3-4-12-9-11/h12,14H,3-10H2,1-2H3
InChIKeyBDKHKXNIMZZXBU-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.69
Rot. Bonds8

About 3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol

3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol (PubChem CID 114761139) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
PubChem CID114761139
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
SMILESCOCCOCCN(C)CC1(O)CCNC1
InChIInChI=1S/C11H24N2O3/c1-13(5-6-16-8-7-15-2)10-11(14)3-4-12-9-11/h12,14H,3-10H2,1-2H3
InChIKeyBDKHKXNIMZZXBU-UHFFFAOYSA-N
XLogP-0.69
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol (CID 114761139) is 3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol is COCCOCCN(C)CC1(O)CCNC1.
What is the InChIKey of 3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is BDKHKXNIMZZXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-13(5-6-16-8-7-15-2)10-11(14)3-4-12-9-11/h12,14H,3-10H2,1-2H3.
What are the key properties of 3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol?
3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 232.32 g/mol, XLogP of -0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 114761139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).