1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol

C19H42N2O6 — CID 146475954

IUPAC1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol
SMILESCCCOCC(O)CNCCOCCOCCNCC(O)COCC(C)C
InChIInChI=1S/C19H42N2O6/c1-4-7-26-15-18(22)12-20-5-8-24-10-11-25-9-6-21-13-19(23)16-27-14-17(2)3/h17-23H,4-16H2,1-3H3
InChIKeyJPGBQYYSTADIPK-UHFFFAOYSA-N
MW394.55 g/mol
LogP0.02
Rot. Bonds21

About 1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol

1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol (PubChem CID 146475954) has the molecular formula C19H42N2O6 and a molecular weight of 394.55 g/mol. Its IUPAC name is 1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol
PubChem CID146475954
Molecular FormulaC19H42N2O6
Molecular Weight394.55 g/mol
Exact Mass394.30
IUPAC Name1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol
SMILESCCCOCC(O)CNCCOCCOCCNCC(O)COCC(C)C
InChIInChI=1S/C19H42N2O6/c1-4-7-26-15-18(22)12-20-5-8-24-10-11-25-9-6-21-13-19(23)16-27-14-17(2)3/h17-23H,4-16H2,1-3H3
InChIKeyJPGBQYYSTADIPK-UHFFFAOYSA-N
XLogP0.02
TPSA101.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.55
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol with MolForge

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Related Compounds

1-(2-methylpropoxy)-3-(3-propoxypropylamino)propan-2-ol
CID 82943587
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
ethane;1-propoxy-3-(propylamino)propan-2-ol
CID 90907979
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine
CID 106452398
1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol
CID 60632995
(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol
CID 92759286
1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol
CID 103931685
1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol
CID 132934310
1-(2-butoxyethoxy)-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63828907

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol?
The IUPAC name of 1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol (CID 146475954) is 1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol?
The canonical SMILES for 1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol is CCCOCC(O)CNCCOCCOCCNCC(O)COCC(C)C.
What is the InChIKey of 1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol?
The InChIKey is JPGBQYYSTADIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O6/c1-4-7-26-15-18(22)12-20-5-8-24-10-11-25-9-6-21-13-19(23)16-27-14-17(2)3/h17-23H,4-16H2,1-3H3.
What are the key properties of 1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol?
1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol has a molecular weight of 394.55 g/mol, XLogP of 0.02, 21 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol is sourced from PubChem (CID 146475954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).