2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine

C12H27NO3 — CID 104566477

IUPAC2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine
SMILESCCC(C)(CN)CCOCCOCCOC
InChIInChI=1S/C12H27NO3/c1-4-12(2,11-13)5-6-15-9-10-16-8-7-14-3/h4-11,13H2,1-3H3
InChIKeyCWFOCIYCDGLBJR-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.43
Rot. Bonds11

About 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine

2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine (PubChem CID 104566477) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine
PubChem CID104566477
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine
SMILESCCC(C)(CN)CCOCCOCCOC
InChIInChI=1S/C12H27NO3/c1-4-12(2,11-13)5-6-15-9-10-16-8-7-14-3/h4-11,13H2,1-3H3
InChIKeyCWFOCIYCDGLBJR-UHFFFAOYSA-N
XLogP1.43
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane
CID 66050495
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine
CID 104566584
1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane
CID 79453199
2-[2-(2-methoxyethoxy)ethyl]-2-methylpentan-1-ol
CID 66025453
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-3-methylhexane
CID 104568722
2-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-ol
CID 103415225
ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate
CID 106487669
2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine
CID 65053170
2-ethyl-5-methoxy-2,5-dimethylhexan-1-amine
CID 103017418
1-amino-5-(2-methoxyethoxy)-2-methylpentan-2-ol
CID 64812317
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine?
The IUPAC name of 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine (CID 104566477) is 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine.
What is the SMILES notation for 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine?
The canonical SMILES for 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine is CCC(C)(CN)CCOCCOCCOC.
What is the InChIKey of 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine?
The InChIKey is CWFOCIYCDGLBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-4-12(2,11-13)5-6-15-9-10-16-8-7-14-3/h4-11,13H2,1-3H3.
What are the key properties of 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine?
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 1.43, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine is sourced from PubChem (CID 104566477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).