3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine

C14H26N2O3 — CID 86205812

IUPAC3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine
SMILESNCCCOCCOCCOCCCn1cccc1
InChIInChI=1S/C14H26N2O3/c15-5-3-9-17-11-13-19-14-12-18-10-4-8-16-6-1-2-7-16/h1-2,6-7H,3-5,8-15H2
InChIKeyWHXKSHUEGSIDMF-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.28
Rot. Bonds13

About 3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine

3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine (PubChem CID 86205812) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine.

Molecular Properties

Compound Name3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine
PubChem CID86205812
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine
SMILESNCCCOCCOCCOCCCn1cccc1
InChIInChI=1S/C14H26N2O3/c15-5-3-9-17-11-13-19-14-12-18-10-4-8-16-6-1-2-7-16/h1-2,6-7H,3-5,8-15H2
InChIKeyWHXKSHUEGSIDMF-UHFFFAOYSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.28
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 3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine?
The IUPAC name of 3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine (CID 86205812) is 3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine.
What is the SMILES notation for 3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine?
The canonical SMILES for 3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine is NCCCOCCOCCOCCCn1cccc1.
What is the InChIKey of 3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine?
The InChIKey is WHXKSHUEGSIDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c15-5-3-9-17-11-13-19-14-12-18-10-4-8-16-6-1-2-7-16/h1-2,6-7H,3-5,8-15H2.
What are the key properties of 3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine?
3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine has a molecular weight of 270.37 g/mol, XLogP of 1.28, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-pyrrol-1-ylpropoxy)ethoxy]ethoxy]propan-1-amine is sourced from PubChem (CID 86205812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).