1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol

C14H29NO3 — CID 59944113

IUPAC1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol
SMILESCCCCOCCOCC(O)CN1CCC(C)C1
InChIInChI=1S/C14H29NO3/c1-3-4-7-17-8-9-18-12-14(16)11-15-6-5-13(2)10-15/h13-14,16H,3-12H2,1-2H3
InChIKeyMMCMKDXECZWFNN-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.52
Rot. Bonds10

About 1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol

1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol (PubChem CID 59944113) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol
PubChem CID59944113
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol
SMILESCCCCOCCOCC(O)CN1CCC(C)C1
InChIInChI=1S/C14H29NO3/c1-3-4-7-17-8-9-18-12-14(16)11-15-6-5-13(2)10-15/h13-14,16H,3-12H2,1-2H3
InChIKeyMMCMKDXECZWFNN-UHFFFAOYSA-N
XLogP1.52
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol (CID 59944113) is 1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol is CCCCOCCOCC(O)CN1CCC(C)C1.
What is the InChIKey of 1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is MMCMKDXECZWFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-4-7-17-8-9-18-12-14(16)11-15-6-5-13(2)10-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 259.39 g/mol, XLogP of 1.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 59944113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).