1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine

C13H27NO4 — CID 104564413

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine
SMILESCOCCOCCOCCOCC1(N)CCCC1
InChIInChI=1S/C13H27NO4/c1-15-6-7-16-8-9-17-10-11-18-12-13(14)4-2-3-5-13/h2-12,14H2,1H3
InChIKeyMHXHKWDLRIVOGK-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.95
Rot. Bonds11

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine (PubChem CID 104564413) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine
PubChem CID104564413
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine
SMILESCOCCOCCOCCOCC1(N)CCCC1
InChIInChI=1S/C13H27NO4/c1-15-6-7-16-8-9-17-10-11-18-12-13(14)4-2-3-5-13/h2-12,14H2,1H3
InChIKeyMHXHKWDLRIVOGK-UHFFFAOYSA-N
XLogP0.95
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine (CID 104564413) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine is COCCOCCOCCOCC1(N)CCCC1.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine?
The InChIKey is MHXHKWDLRIVOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-15-6-7-16-8-9-17-10-11-18-12-13(14)4-2-3-5-13/h2-12,14H2,1H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine has a molecular weight of 261.36 g/mol, XLogP of 0.95, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 104564413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).