N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine

C33H69NO6 — CID 59483294

IUPACN-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN(C)CCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C33H69NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-34(2)22-20-23-36-26-27-38-30-31-40-33-32-39-29-28-37-25-24-35-3/h4-33H2,1-3H3
InChIKeyRSOOVHDMBVQKJS-UHFFFAOYSA-N
MW575.92 g/mol
LogP7.30
Rot. Bonds36

About N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine

N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine (PubChem CID 59483294) has the molecular formula C33H69NO6 and a molecular weight of 575.92 g/mol. Its IUPAC name is N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine.

Molecular Properties

Compound NameN-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine
PubChem CID59483294
Molecular FormulaC33H69NO6
Molecular Weight575.92 g/mol
Exact Mass575.51
IUPAC NameN-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN(C)CCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C33H69NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-34(2)22-20-23-36-26-27-38-30-31-40-33-32-39-29-28-37-25-24-35-3/h4-33H2,1-3H3
InChIKeyRSOOVHDMBVQKJS-UHFFFAOYSA-N
XLogP7.30
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds36
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.92
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine?
The IUPAC name of N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine (CID 59483294) is N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine.
What is the SMILES notation for N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine?
The canonical SMILES for N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine is CCCCCCCCCCCCCCCCCCN(C)CCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine?
The InChIKey is RSOOVHDMBVQKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H69NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-34(2)22-20-23-36-26-27-38-30-31-40-33-32-39-29-28-37-25-24-35-3/h4-33H2,1-3H3.
What are the key properties of N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine?
N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine has a molecular weight of 575.92 g/mol, XLogP of 7.30, 36 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine is sourced from PubChem (CID 59483294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).