2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine

C15H28N2O4 — CID 104562071

IUPAC2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
SMILESCCCCOCCOCCOCCNCc1cc(C)on1
InChIInChI=1S/C15H28N2O4/c1-3-4-6-18-8-10-20-11-9-19-7-5-16-13-15-12-14(2)21-17-15/h12,16H,3-11,13H2,1-2H3
InChIKeyIJLGDGRJXWIMMD-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.92
Rot. Bonds14

About 2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine

2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine (PubChem CID 104562071) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
PubChem CID104562071
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
SMILESCCCCOCCOCCOCCNCc1cc(C)on1
InChIInChI=1S/C15H28N2O4/c1-3-4-6-18-8-10-20-11-9-19-7-5-16-13-15-12-14(2)21-17-15/h12,16H,3-11,13H2,1-2H3
InChIKeyIJLGDGRJXWIMMD-UHFFFAOYSA-N
XLogP1.92
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine
CID 60691345
N-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanamine
CID 62337039
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55077772
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
4,4,4-trifluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butan-1-amine
CID 115513642
2-butoxy-N-(thiadiazol-4-ylmethyl)ethanamine
CID 61169519
2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106398905
3-butyl-5-methyl-1,2-oxazole
CID 19872036
N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62457342
2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604
2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 104562263
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 60686114

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine (CID 104562071) is 2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine is CCCCOCCOCCOCCNCc1cc(C)on1.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
The InChIKey is IJLGDGRJXWIMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-3-4-6-18-8-10-20-11-9-19-7-5-16-13-15-12-14(2)21-17-15/h12,16H,3-11,13H2,1-2H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine has a molecular weight of 300.40 g/mol, XLogP of 1.92, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 104562071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).