2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine

C16H33NO4 — CID 103075116

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

About 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine

2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine (PubChem CID 103075116) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine
PubChem CID103075116
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)COCCOCCOCCOCCCC
InChIInChI=1S/C16H33NO4/c1-4-6-7-18-8-9-19-10-11-20-12-13-21-15-16(3)14-17-5-2/h17H,3-15H2,1-2H3
InChIKeyINUFSGSCGLZKOS-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine (CID 103075116) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine is C=C(CNCC)COCCOCCOCCOCCCC.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine?
The InChIKey is INUFSGSCGLZKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4/c1-4-6-7-18-8-9-19-10-11-20-12-13-21-15-16(3)14-17-5-2/h17H,3-15H2,1-2H3.
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine 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-(2-butoxyethoxy)ethoxy]ethoxymethyl]-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 103075116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).