4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol

C15H33NO4 — CID 103181446

IUPAC4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)OCCOCCCOC
InChIInChI=1S/C15H33NO4/c1-5-7-16-15(3,13-17)12-14(2)20-11-10-19-9-6-8-18-4/h14,16-17H,5-13H2,1-4H3
InChIKeyOYTPSJPQMJQGEJ-UHFFFAOYSA-N
MW291.43 g/mol
LogP1.59
Rot. Bonds14

About 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol

4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 103181446) has the molecular formula C15H33NO4 and a molecular weight of 291.43 g/mol. Its IUPAC name is 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID103181446
Molecular FormulaC15H33NO4
Molecular Weight291.43 g/mol
Exact Mass291.24
IUPAC Name4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)OCCOCCCOC
InChIInChI=1S/C15H33NO4/c1-5-7-16-15(3,13-17)12-14(2)20-11-10-19-9-6-8-18-4/h14,16-17H,5-13H2,1-4H3
InChIKeyOYTPSJPQMJQGEJ-UHFFFAOYSA-N
XLogP1.59
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 51.59
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 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol (CID 103181446) is 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)OCCOCCCOC.
What is the InChIKey of 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is OYTPSJPQMJQGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO4/c1-5-7-16-15(3,13-17)12-14(2)20-11-10-19-9-6-8-18-4/h14,16-17H,5-13H2,1-4H3.
What are the key properties of 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol?
4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 291.43 g/mol, XLogP of 1.59, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 103181446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).