N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine

C21H43NO8 — CID 175632336

IUPACN-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine
SMILESC=C(CC)NCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C21H43NO8/c1-4-21(2)22-5-6-24-9-10-26-13-14-28-17-18-30-20-19-29-16-15-27-12-11-25-8-7-23-3/h22H,2,4-20H2,1,3H3
InChIKeyVISNWJSKNCYKJP-UHFFFAOYSA-N
MW437.57 g/mol
LogP1.26
Rot. Bonds26

About N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine

N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine (PubChem CID 175632336) has the molecular formula C21H43NO8 and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine
PubChem CID175632336
Molecular FormulaC21H43NO8
Molecular Weight437.57 g/mol
Exact Mass437.30
IUPAC NameN-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine
SMILESC=C(CC)NCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C21H43NO8/c1-4-21(2)22-5-6-24-9-10-26-13-14-28-17-18-30-20-19-29-16-15-27-12-11-25-8-7-23-3/h22H,2,4-20H2,1,3H3
InChIKeyVISNWJSKNCYKJP-UHFFFAOYSA-N
XLogP1.26
TPSA85.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds26
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine?
The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine (CID 175632336) is N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine?
The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine is C=C(CC)NCCOCCOCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine?
The InChIKey is VISNWJSKNCYKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO8/c1-4-21(2)22-5-6-24-9-10-26-13-14-28-17-18-30-20-19-29-16-15-27-12-11-25-8-7-23-3/h22H,2,4-20H2,1,3H3.
What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine?
N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine has a molecular weight of 437.57 g/mol, XLogP of 1.26, 26 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine is sourced from PubChem (CID 175632336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).