4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol

C13H29NO4 — CID 106146692

IUPAC4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol
SMILESCOCCOCCOCCNCC(C)(C)CCO
InChIInChI=1S/C13H29NO4/c1-13(2,4-6-15)12-14-5-7-17-10-11-18-9-8-16-3/h14-15H,4-12H2,1-3H3
InChIKeyQXGYAWLTPCXDLH-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.66
Rot. Bonds13

About 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol

4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol (PubChem CID 106146692) has the molecular formula C13H29NO4 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol
PubChem CID106146692
Molecular FormulaC13H29NO4
Molecular Weight263.38 g/mol
Exact Mass263.21
IUPAC Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol
SMILESCOCCOCCOCCNCC(C)(C)CCO
InChIInChI=1S/C13H29NO4/c1-13(2,4-6-15)12-14-5-7-17-10-11-18-9-8-16-3/h14-15H,4-12H2,1-3H3
InChIKeyQXGYAWLTPCXDLH-UHFFFAOYSA-N
XLogP0.66
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.66
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

3,3-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol
CID 106146509
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol
CID 113426999
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
2-[[2-(2-methoxyethoxy)ethylamino]methyl]-2-methylbutan-1-ol
CID 81418619
2,2-difluoro-3-[2-(2-methoxyethoxy)ethylamino]propan-1-ol
CID 106176837
3-(2-methoxyethylamino)-2,2-dimethylpropan-1-ol
CID 81413606
4-chloro-N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylbutan-1-amine
CID 106140042
4-[2-(2-methoxyethoxy)ethylamino]-2-methylbutan-2-ol
CID 79361268
5-(4-methoxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147134
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208
4-ethoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62725159
3,3-dimethyl-4-(2-methylsulfanylethylamino)butan-1-ol
CID 106146552

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol (CID 106146692) is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol is COCCOCCOCCNCC(C)(C)CCO.
What is the InChIKey of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol?
The InChIKey is QXGYAWLTPCXDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4/c1-13(2,4-6-15)12-14-5-7-17-10-11-18-9-8-16-3/h14-15H,4-12H2,1-3H3.
What are the key properties of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol?
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 0.66, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106146692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).