4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol

C11H24N2O2 — CID 66003683

IUPAC4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol
SMILESCOCCNCCC(C)(O)C1CCCN1
InChIInChI=1S/C11H24N2O2/c1-11(14,10-4-3-6-13-10)5-7-12-8-9-15-2/h10,12-14H,3-9H2,1-2H3
InChIKeyCWOYWQIXZONSFG-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.12
Rot. Bonds7

About 4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol

4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol (PubChem CID 66003683) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol
PubChem CID66003683
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol
SMILESCOCCNCCC(C)(O)C1CCCN1
InChIInChI=1S/C11H24N2O2/c1-11(14,10-4-3-6-13-10)5-7-12-8-9-15-2/h10,12-14H,3-9H2,1-2H3
InChIKeyCWOYWQIXZONSFG-UHFFFAOYSA-N
XLogP0.12
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol?
The IUPAC name of 4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol (CID 66003683) is 4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol.
What is the SMILES notation for 4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol?
The canonical SMILES for 4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol is COCCNCCC(C)(O)C1CCCN1.
What is the InChIKey of 4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol?
The InChIKey is CWOYWQIXZONSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11(14,10-4-3-6-13-10)5-7-12-8-9-15-2/h10,12-14H,3-9H2,1-2H3.
What are the key properties of 4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol?
4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol has a molecular weight of 216.32 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol is sourced from PubChem (CID 66003683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).