[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol

C13H27NO5 — CID 104567705

IUPAC[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol
SMILESCOCCOCCOCCOC1CCC(N)(CO)C1
InChIInChI=1S/C13H27NO5/c1-16-4-5-17-6-7-18-8-9-19-12-2-3-13(14,10-12)11-15/h12,15H,2-11,14H2,1H3
InChIKeyHURSZDIUDFSMHF-UHFFFAOYSA-N
MW277.36 g/mol
LogP-0.08
Rot. Bonds11

About [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol

[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol (PubChem CID 104567705) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol
PubChem CID104567705
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Name[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol
SMILESCOCCOCCOCCOC1CCC(N)(CO)C1
InChIInChI=1S/C13H27NO5/c1-16-4-5-17-6-7-18-8-9-19-12-2-3-13(14,10-12)11-15/h12,15H,2-11,14H2,1H3
InChIKeyHURSZDIUDFSMHF-UHFFFAOYSA-N
XLogP-0.08
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol?
The IUPAC name of [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol (CID 104567705) is [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol is COCCOCCOCCOC1CCC(N)(CO)C1.
What is the InChIKey of [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol?
The InChIKey is HURSZDIUDFSMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5/c1-16-4-5-17-6-7-18-8-9-19-12-2-3-13(14,10-12)11-15/h12,15H,2-11,14H2,1H3.
What are the key properties of [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol?
[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol has a molecular weight of 277.36 g/mol, XLogP of -0.08, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol is sourced from PubChem (CID 104567705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).