1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol

C11H25NO4 — CID 104561126

IUPAC1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCOCCOCCOCC(O)CNC(C)C
InChIInChI=1S/C11H25NO4/c1-10(2)12-8-11(13)9-16-7-6-15-5-4-14-3/h10-13H,4-9H2,1-3H3
InChIKeyZXZUKTDIHDNYLM-UHFFFAOYSA-N
MW235.32 g/mol
LogP0.02
Rot. Bonds11

About 1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol

1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 104561126) has the molecular formula C11H25NO4 and a molecular weight of 235.32 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID104561126
Molecular FormulaC11H25NO4
Molecular Weight235.32 g/mol
Exact Mass235.18
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCOCCOCCOCC(O)CNC(C)C
InChIInChI=1S/C11H25NO4/c1-10(2)12-8-11(13)9-16-7-6-15-5-4-14-3/h10-13H,4-9H2,1-3H3
InChIKeyZXZUKTDIHDNYLM-UHFFFAOYSA-N
XLogP0.02
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 50.02
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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Related Compounds

methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate
CID 106989632
1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 106989003
1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 172990455
CID 164787457
CID 164787457
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol
CID 106989573
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106990428
1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989627
1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989797
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol (CID 104561126) is 1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol is COCCOCCOCC(O)CNC(C)C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is ZXZUKTDIHDNYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4/c1-10(2)12-8-11(13)9-16-7-6-15-5-4-14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 235.32 g/mol, XLogP of 0.02, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 104561126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).