1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol

C13H30N2O4 — CID 106147594

IUPAC1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol
SMILESCOCCOCCOCCNCC(C)(O)CN(C)C
InChIInChI=1S/C13H30N2O4/c1-13(16,12-15(2)3)11-14-5-6-18-9-10-19-8-7-17-4/h14,16H,5-12H2,1-4H3
InChIKeyMRHWZULXWQTRJO-UHFFFAOYSA-N
MW278.39 g/mol
LogP-0.43
Rot. Bonds13

About 1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol

1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol (PubChem CID 106147594) has the molecular formula C13H30N2O4 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol
PubChem CID106147594
Molecular FormulaC13H30N2O4
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Name1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol
SMILESCOCCOCCOCCNCC(C)(O)CN(C)C
InChIInChI=1S/C13H30N2O4/c1-13(16,12-15(2)3)11-14-5-6-18-9-10-19-8-7-17-4/h14,16H,5-12H2,1-4H3
InChIKeyMRHWZULXWQTRJO-UHFFFAOYSA-N
XLogP-0.43
TPSA63.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 5-0.43
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

3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol
CID 113426999
ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate
CID 114150258
1-(2-methoxyethoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335939
1-(dimethylamino)-3-[2-(dimethylamino)ethylamino]-2-methylpropan-2-ol
CID 106147764
1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol
CID 104985809
4-[2-(2-methoxyethoxy)ethylamino]-2-methylbutan-2-ol
CID 79361268
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol
CID 106146692
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
CID 106292550
1-methoxy-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 62774154
1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145231
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpropan-2-ol
CID 103179086
2-[[2-(2-methoxyethoxy)ethylamino]methyl]-2-methylbutan-1-ol
CID 81418619

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol (CID 106147594) is 1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol is COCCOCCOCCNCC(C)(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol?
The InChIKey is MRHWZULXWQTRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O4/c1-13(16,12-15(2)3)11-14-5-6-18-9-10-19-8-7-17-4/h14,16H,5-12H2,1-4H3.
What are the key properties of 1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol?
1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol has a molecular weight of 278.39 g/mol, XLogP of -0.43, 13 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-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 106147594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).