[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine

C15H28N2O3 — CID 104565446

IUPAC[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine
SMILESCCCCOCCOCCOCCn1ccc(CN)c1
InChIInChI=1S/C15H28N2O3/c1-2-3-7-18-9-11-20-12-10-19-8-6-17-5-4-15(13-16)14-17/h4-5,14H,2-3,6-13,16H2,1H3
InChIKeyHLIIBTQRKPZKLP-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.80
Rot. Bonds13

About [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine

[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine (PubChem CID 104565446) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine
PubChem CID104565446
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine
SMILESCCCCOCCOCCOCCn1ccc(CN)c1
InChIInChI=1S/C15H28N2O3/c1-2-3-7-18-9-11-20-12-10-19-8-6-17-5-4-15(13-16)14-17/h4-5,14H,2-3,6-13,16H2,1H3
InChIKeyHLIIBTQRKPZKLP-UHFFFAOYSA-N
XLogP1.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.80
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-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine?
The IUPAC name of [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine (CID 104565446) is [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine?
The canonical SMILES for [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine is CCCCOCCOCCOCCn1ccc(CN)c1.
What is the InChIKey of [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine?
The InChIKey is HLIIBTQRKPZKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-3-7-18-9-11-20-12-10-19-8-6-17-5-4-15(13-16)14-17/h4-5,14H,2-3,6-13,16H2,1H3.
What are the key properties of [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine?
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine has a molecular weight of 284.40 g/mol, XLogP of 1.80, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 104565446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).