1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine

C26H55NO2 — CID 57296414

IUPAC1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine
SMILESCCCCCCCCCCCCCCCCCC(N)(CCOCC)CCOCC
InChIInChI=1S/C26H55NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(27,22-24-28-5-2)23-25-29-6-3/h4-25,27H2,1-3H3
InChIKeyPBGHKNQFZVNWNX-UHFFFAOYSA-N
MW413.73 g/mol
LogP7.80
Rot. Bonds24

About 1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine

1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine (PubChem CID 57296414) has the molecular formula C26H55NO2 and a molecular weight of 413.73 g/mol. Its IUPAC name is 1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine.

Molecular Properties

Compound Name1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine
PubChem CID57296414
Molecular FormulaC26H55NO2
Molecular Weight413.73 g/mol
Exact Mass413.42
IUPAC Name1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine
SMILESCCCCCCCCCCCCCCCCCC(N)(CCOCC)CCOCC
InChIInChI=1S/C26H55NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(27,22-24-28-5-2)23-25-29-6-3/h4-25,27H2,1-3H3
InChIKeyPBGHKNQFZVNWNX-UHFFFAOYSA-N
XLogP7.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.73
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine?
The IUPAC name of 1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine (CID 57296414) is 1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine.
What is the SMILES notation for 1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine?
The canonical SMILES for 1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine is CCCCCCCCCCCCCCCCCC(N)(CCOCC)CCOCC.
What is the InChIKey of 1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine?
The InChIKey is PBGHKNQFZVNWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(27,22-24-28-5-2)23-25-29-6-3/h4-25,27H2,1-3H3.
What are the key properties of 1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine?
1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine has a molecular weight of 413.73 g/mol, XLogP of 7.80, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(2-ethoxyethyl)icosan-3-amine is sourced from PubChem (CID 57296414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).