1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol

C11H26N2O4 — CID 58067985

IUPAC1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol
SMILESCN(C)CC(O)COCCOCC(O)N(C)C
InChIInChI=1S/C11H26N2O4/c1-12(2)7-10(14)8-16-5-6-17-9-11(15)13(3)4/h10-11,14-15H,5-9H2,1-4H3
InChIKeyFWFHFPUUTNGIKI-UHFFFAOYSA-N
MW250.34 g/mol
LogP-1.18
Rot. Bonds10

About 1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol

1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol (PubChem CID 58067985) has the molecular formula C11H26N2O4 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol
PubChem CID58067985
Molecular FormulaC11H26N2O4
Molecular Weight250.34 g/mol
Exact Mass250.19
IUPAC Name1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol
SMILESCN(C)CC(O)COCCOCC(O)N(C)C
InChIInChI=1S/C11H26N2O4/c1-12(2)7-10(14)8-16-5-6-17-9-11(15)13(3)4/h10-11,14-15H,5-9H2,1-4H3
InChIKeyFWFHFPUUTNGIKI-UHFFFAOYSA-N
XLogP-1.18
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)-2-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]ethanol
CID 170282513
1-(dimethylamino)-3-octadecoxypropan-2-ol;hydrobromide
CID 87356589
1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride
CID 3022344
1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol
CID 89311398
[3-(dimethylamino)-2-hydroxypropyl] carbamate
CID 87246058
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid
CID 106991340
1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989627
1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106991798
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
CID 106991621
1-(dimethylamino)-3-[3-(hydroxy-methyl-phenylsilyl)oxypropoxy]propan-2-ol
CID 67856319

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol (CID 58067985) is 1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol is CN(C)CC(O)COCCOCC(O)N(C)C.
What is the InChIKey of 1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol?
The InChIKey is FWFHFPUUTNGIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O4/c1-12(2)7-10(14)8-16-5-6-17-9-11(15)13(3)4/h10-11,14-15H,5-9H2,1-4H3.
What are the key properties of 1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol?
1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol has a molecular weight of 250.34 g/mol, XLogP of -1.18, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 58067985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).