3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine

C19H37NO8 — CID 87250707

IUPAC3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine
SMILESCCOCCOCCOCCOCCOCCOCCOCCOCC#CN
InChIInChI=1S/C19H37NO8/c1-2-21-6-7-23-10-11-25-14-15-27-18-19-28-17-16-26-13-12-24-9-8-22-5-3-4-20/h2,5-20H2,1H3
InChIKeyUJEYVOCMSWGESA-UHFFFAOYSA-N
MW407.50 g/mol
LogP0.06
Rot. Bonds23

About 3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine

3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine (PubChem CID 87250707) has the molecular formula C19H37NO8 and a molecular weight of 407.50 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine
PubChem CID87250707
Molecular FormulaC19H37NO8
Molecular Weight407.50 g/mol
Exact Mass407.25
IUPAC Name3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine
SMILESCCOCCOCCOCCOCCOCCOCCOCCOCC#CN
InChIInChI=1S/C19H37NO8/c1-2-21-6-7-23-10-11-25-14-15-27-18-19-28-17-16-26-13-12-24-9-8-22-5-3-4-20/h2,5-20H2,1H3
InChIKeyUJEYVOCMSWGESA-UHFFFAOYSA-N
XLogP0.06
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine?
The IUPAC name of 3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine (CID 87250707) is 3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine?
The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine is CCOCCOCCOCCOCCOCCOCCOCCOCC#CN.
What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine?
The InChIKey is UJEYVOCMSWGESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO8/c1-2-21-6-7-23-10-11-25-14-15-27-18-19-28-17-16-26-13-12-24-9-8-22-5-3-4-20/h2,5-20H2,1H3.
What are the key properties of 3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine?
3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine has a molecular weight of 407.50 g/mol, XLogP of 0.06, 23 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine is sourced from PubChem (CID 87250707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).