cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine

C13H22N2O2 — CID 79104518

IUPACcyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine
SMILESCOCCOCCn1ccc(C(N)C2CC2)c1
InChIInChI=1S/C13H22N2O2/c1-16-8-9-17-7-6-15-5-4-12(10-15)13(14)11-2-3-11/h4-5,10-11,13H,2-3,6-9,14H2,1H3
InChIKeyQRCHANQVWSWGPM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.56
Rot. Bonds8

About cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine

cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine (PubChem CID 79104518) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine
PubChem CID79104518
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Namecyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine
SMILESCOCCOCCn1ccc(C(N)C2CC2)c1
InChIInChI=1S/C13H22N2O2/c1-16-8-9-17-7-6-15-5-4-12(10-15)13(14)11-2-3-11/h4-5,10-11,13H,2-3,6-9,14H2,1H3
InChIKeyQRCHANQVWSWGPM-UHFFFAOYSA-N
XLogP1.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine (CID 79104518) is cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine is COCCOCCn1ccc(C(N)C2CC2)c1.
What is the InChIKey of cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine?
The InChIKey is QRCHANQVWSWGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-16-8-9-17-7-6-15-5-4-12(10-15)13(14)11-2-3-11/h4-5,10-11,13H,2-3,6-9,14H2,1H3.
What are the key properties of cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine?
cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 79104518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).