1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol

C13H29NO5 — CID 135173496

IUPAC1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol
SMILESCNCCOCCOCCOCC(O)COC(C)C
InChIInChI=1S/C13H29NO5/c1-12(2)19-11-13(15)10-18-9-8-17-7-6-16-5-4-14-3/h12-15H,4-11H2,1-3H3
InChIKeyHXKRIHPUWPVCMT-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.04
Rot. Bonds14

About 1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol

1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol (PubChem CID 135173496) has the molecular formula C13H29NO5 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol
PubChem CID135173496
Molecular FormulaC13H29NO5
Molecular Weight279.38 g/mol
Exact Mass279.20
IUPAC Name1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol
SMILESCNCCOCCOCCOCC(O)COC(C)C
InChIInChI=1S/C13H29NO5/c1-12(2)19-11-13(15)10-18-9-8-17-7-6-16-5-4-14-3/h12-15H,4-11H2,1-3H3
InChIKeyHXKRIHPUWPVCMT-UHFFFAOYSA-N
XLogP0.04
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[[(2R)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol
CID 146526522
1-propan-2-yloxy-3-[2-(propylamino)ethoxy]propan-2-ol
CID 106939588
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen
CID 166117976
1-(2-methoxyethoxy)-3-[1-(methylamino)propan-2-yloxy]propan-2-ol
CID 106991208
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 129308437
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-2-[2-[2-(methylamino)ethoxy]ethoxy]acetamide
CID 123667701
ethene;N-methyl-2-[2-(methylamino)ethoxy]ethanamine
CID 158445143
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane
CID 166139470
2-(2,2-difluoroethoxy)-N-methylethanamine
CID 58684435

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol (CID 135173496) is 1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol is CNCCOCCOCCOCC(O)COC(C)C.
What is the InChIKey of 1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol?
The InChIKey is HXKRIHPUWPVCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO5/c1-12(2)19-11-13(15)10-18-9-8-17-7-6-16-5-4-14-3/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol?
1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 0.04, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 135173496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).