2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine

C17H33NO4 — CID 170682417

IUPAC2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine
SMILESC=CCC(CN)(CC=C)CCOCCOCCOCCOC
InChIInChI=1S/C17H33NO4/c1-4-6-17(16-18,7-5-2)8-9-20-12-13-22-15-14-21-11-10-19-3/h4-5H,1-2,6-16,18H2,3H3
InChIKeyCQHJYFRJPOWCCS-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.17
Rot. Bonds17

About 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine

2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine (PubChem CID 170682417) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine.

Molecular Properties

Compound Name2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine
PubChem CID170682417
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC Name2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine
SMILESC=CCC(CN)(CC=C)CCOCCOCCOCCOC
InChIInChI=1S/C17H33NO4/c1-4-6-17(16-18,7-5-2)8-9-20-12-13-22-15-14-21-11-10-19-3/h4-5H,1-2,6-16,18H2,3H3
InChIKeyCQHJYFRJPOWCCS-UHFFFAOYSA-N
XLogP2.17
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.17
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-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine?
The IUPAC name of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine (CID 170682417) is 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine.
What is the SMILES notation for 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine?
The canonical SMILES for 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine is C=CCC(CN)(CC=C)CCOCCOCCOCCOC.
What is the InChIKey of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine?
The InChIKey is CQHJYFRJPOWCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4/c1-4-6-17(16-18,7-5-2)8-9-20-12-13-22-15-14-21-11-10-19-3/h4-5H,1-2,6-16,18H2,3H3.
What are the key properties of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine?
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine has a molecular weight of 315.45 g/mol, XLogP of 2.17, 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-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine is sourced from PubChem (CID 170682417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).