2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine

C16H33NO4 — CID 114467166

IUPAC2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
SMILESC=C(C)COCCNCCOCCOCCOCCCC
InChIInChI=1S/C16H33NO4/c1-4-5-8-18-11-13-20-14-12-19-9-6-17-7-10-21-15-16(2)3/h17H,2,4-15H2,1,3H3
InChIKeyOVKZAGLVFHLTKV-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.02
Rot. Bonds17

About 2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine

2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine (PubChem CID 114467166) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
PubChem CID114467166
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
SMILESC=C(C)COCCNCCOCCOCCOCCCC
InChIInChI=1S/C16H33NO4/c1-4-5-8-18-11-13-20-14-12-19-9-6-17-7-10-21-15-16(2)3/h17H,2,4-15H2,1,3H3
InChIKeyOVKZAGLVFHLTKV-UHFFFAOYSA-N
XLogP2.02
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
N-methyl-2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine
CID 88262803
ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 142382423
ethane;N-methyl-2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethanamine
CID 143148551
ethane;2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-methylethanamine;2-prop-2-enoxypropane
CID 153390641
N',N'-dimethyl-N-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]ethane-1,2-diamine
CID 163715916
N'-(4-aminobutyl)-N'-[2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethyl]butane-1,4-diamine
CID 166677169
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine
CID 103075116
2-(3-methoxypropoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 103179558
3-(2-methoxyethoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 103409713
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine
CID 106452619
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propoxyethanamine
CID 106452620

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine (CID 114467166) is 2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine is C=C(C)COCCNCCOCCOCCOCCCC.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The InChIKey is OVKZAGLVFHLTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4/c1-4-5-8-18-11-13-20-14-12-19-9-6-17-7-10-21-15-16(2)3/h17H,2,4-15H2,1,3H3.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine has a molecular weight of 303.44 g/mol, XLogP of 2.02, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine is sourced from PubChem (CID 114467166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).