2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine

C15H33NO3 — CID 104566584

IUPAC2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)CCOCCOCCOC
InChIInChI=1S/C15H33NO3/c1-5-8-16-14-15(3,6-2)7-9-18-12-13-19-11-10-17-4/h16H,5-14H2,1-4H3
InChIKeyWMBOAGLYIMGOLE-UHFFFAOYSA-N
MW275.43 g/mol
LogP2.47
Rot. Bonds14

About 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine

2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine (PubChem CID 104566584) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine
PubChem CID104566584
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)CCOCCOCCOC
InChIInChI=1S/C15H33NO3/c1-5-8-16-14-15(3,6-2)7-9-18-12-13-19-11-10-17-4/h16H,5-14H2,1-4H3
InChIKeyWMBOAGLYIMGOLE-UHFFFAOYSA-N
XLogP2.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 52.47
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

2-[[2-(2-methoxyethoxy)ethylamino]methyl]-2-methylbutan-1-ol
CID 81418619
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2-methylpropoxy)butan-1-amine
CID 106456931
1-(2-methoxyethoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335939
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylpropan-1-amine
CID 103406228
3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane
CID 66050495
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine
CID 104566477
2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine
CID 104566572
6-methoxy-2-methyl-N,2-dipropylhexan-1-amine
CID 104649332
4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine
CID 104566582
2-ethyl-2-[2-(3-methoxypropoxy)ethyl]-N-propylhexan-1-amine
CID 103183523
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 104566543
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-3-methylhexane
CID 104568722

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine (CID 104566584) is 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine is CCCNCC(C)(CC)CCOCCOCCOC.
What is the InChIKey of 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine?
The InChIKey is WMBOAGLYIMGOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3/c1-5-8-16-14-15(3,6-2)7-9-18-12-13-19-11-10-17-4/h16H,5-14H2,1-4H3.
What are the key properties of 2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine?
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-N-propylbutan-1-amine has a molecular weight of 275.43 g/mol, XLogP of 2.47, 14 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-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 104566584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).