1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol

C16H36N2O5 — CID 118243561

IUPAC1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol
SMILESCCC(O)CNCCOCCOCCN(CC(C)O)CC(C)O
InChIInChI=1S/C16H36N2O5/c1-4-16(21)11-17-5-7-22-9-10-23-8-6-18(12-14(2)19)13-15(3)20/h14-17,19-21H,4-13H2,1-3H3
InChIKeyGFDLKJLURXJPGH-UHFFFAOYSA-N
MW336.47 g/mol
LogP-0.56
Rot. Bonds16

About 1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol

1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol (PubChem CID 118243561) has the molecular formula C16H36N2O5 and a molecular weight of 336.47 g/mol. Its IUPAC name is 1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol
PubChem CID118243561
Molecular FormulaC16H36N2O5
Molecular Weight336.47 g/mol
Exact Mass336.26
IUPAC Name1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol
SMILESCCC(O)CNCCOCCOCCN(CC(C)O)CC(C)O
InChIInChI=1S/C16H36N2O5/c1-4-16(21)11-17-5-7-22-9-10-23-8-6-18(12-14(2)19)13-15(3)20/h14-17,19-21H,4-13H2,1-3H3
InChIKeyGFDLKJLURXJPGH-UHFFFAOYSA-N
XLogP-0.56
TPSA94.42 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-(2-hydroxybutylamino)ethoxy]ethoxy]ethylamino]hexadecan-2-ol;1-[2-[2-[2-(2-hydroxybutylamino)ethoxy]ethoxy]ethyl-(2-hydroxy-3-methylpentadecyl)amino]hexadecan-2-ol;1-[2-[2-[2-[2-hydroxybutyl-(2-hydroxy-3-methylpentadecyl)amino]ethoxy]ethoxy]ethyl-(2-hydroxy-3-methylpentadecyl)amino]hexadecan-2-ol;1-[(2-hydroxy-3-methylpentadecyl)-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]amino]hexadecan-2-ol;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]hexadecan-2-ol
CID 157389118
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317594
2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid
CID 177180720
1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol
CID 146475954
1-(2-ethoxyethylamino)propan-2-ol
CID 43393547
1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol
CID 114184079
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
2-methyl-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propan-1-amine
CID 146640685
1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-methylamino]ethylamino]propan-2-ol
CID 118243560
1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19893086
1-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 104562097

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol?
The IUPAC name of 1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol (CID 118243561) is 1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol?
The canonical SMILES for 1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol is CCC(O)CNCCOCCOCCN(CC(C)O)CC(C)O.
What is the InChIKey of 1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol?
The InChIKey is GFDLKJLURXJPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O5/c1-4-16(21)11-17-5-7-22-9-10-23-8-6-18(12-14(2)19)13-15(3)20/h14-17,19-21H,4-13H2,1-3H3.
What are the key properties of 1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol?
1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol has a molecular weight of 336.47 g/mol, XLogP of -0.56, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[bis(2-hydroxypropyl)amino]ethoxy]ethoxy]ethylamino]butan-2-ol is sourced from PubChem (CID 118243561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).