2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine

C23H48N2O6 — CID 153358477

IUPAC2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine
SMILESC=CCCOCCOCCOCCOCCOCCOCCN.CC1CCN(C)CC1
InChIInChI=1S/C16H33NO6.C7H15N/c1-2-3-5-18-7-9-20-11-13-22-15-16-23-14-12-21-10-8-19-6-4-17;1-7-3-5-8(2)6-4-7/h2H,1,3-17H2;7H,3-6H2,1-2H3
InChIKeyYAGTXLKSGGXFBE-UHFFFAOYSA-N
MW448.65 g/mol
LogP1.97
Rot. Bonds20

About 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine

2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine (PubChem CID 153358477) has the molecular formula C23H48N2O6 and a molecular weight of 448.65 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine
PubChem CID153358477
Molecular FormulaC23H48N2O6
Molecular Weight448.65 g/mol
Exact Mass448.35
IUPAC Name2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine
SMILESC=CCCOCCOCCOCCOCCOCCOCCN.CC1CCN(C)CC1
InChIInChI=1S/C16H33NO6.C7H15N/c1-2-3-5-18-7-9-20-11-13-22-15-16-23-14-12-21-10-8-19-6-4-17;1-7-3-5-8(2)6-4-7/h2H,1,3-17H2;7H,3-6H2,1-2H3
InChIKeyYAGTXLKSGGXFBE-UHFFFAOYSA-N
XLogP1.97
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.65
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine?
The IUPAC name of 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine (CID 153358477) is 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine?
The canonical SMILES for 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine is C=CCCOCCOCCOCCOCCOCCOCCN.CC1CCN(C)CC1.
What is the InChIKey of 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine?
The InChIKey is YAGTXLKSGGXFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO6.C7H15N/c1-2-3-5-18-7-9-20-11-13-22-15-16-23-14-12-21-10-8-19-6-4-17;1-7-3-5-8(2)6-4-7/h2H,1,3-17H2;7H,3-6H2,1-2H3.
What are the key properties of 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine?
2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine has a molecular weight of 448.65 g/mol, XLogP of 1.97, 20 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1,4-dimethylpiperidine is sourced from PubChem (CID 153358477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).