[1-(2-propoxyethyl)pyrrol-3-yl]methanamine

C10H18N2O — CID 106455260

IUPAC[1-(2-propoxyethyl)pyrrol-3-yl]methanamine
SMILESCCCOCCn1ccc(CN)c1
InChIInChI=1S/C10H18N2O/c1-2-6-13-7-5-12-4-3-10(8-11)9-12/h3-4,9H,2,5-8,11H2,1H3
InChIKeyAVBZUWWRFBBTBE-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.37
Rot. Bonds6

About [1-(2-propoxyethyl)pyrrol-3-yl]methanamine

[1-(2-propoxyethyl)pyrrol-3-yl]methanamine (PubChem CID 106455260) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is [1-(2-propoxyethyl)pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-propoxyethyl)pyrrol-3-yl]methanamine
PubChem CID106455260
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name[1-(2-propoxyethyl)pyrrol-3-yl]methanamine
SMILESCCCOCCn1ccc(CN)c1
InChIInChI=1S/C10H18N2O/c1-2-6-13-7-5-12-4-3-10(8-11)9-12/h3-4,9H,2,5-8,11H2,1H3
InChIKeyAVBZUWWRFBBTBE-UHFFFAOYSA-N
XLogP1.37
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-propoxyethyl)pyrrol-3-yl]methanamine?
The IUPAC name of [1-(2-propoxyethyl)pyrrol-3-yl]methanamine (CID 106455260) is [1-(2-propoxyethyl)pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-(2-propoxyethyl)pyrrol-3-yl]methanamine?
The canonical SMILES for [1-(2-propoxyethyl)pyrrol-3-yl]methanamine is CCCOCCn1ccc(CN)c1.
What is the InChIKey of [1-(2-propoxyethyl)pyrrol-3-yl]methanamine?
The InChIKey is AVBZUWWRFBBTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-6-13-7-5-12-4-3-10(8-11)9-12/h3-4,9H,2,5-8,11H2,1H3.
What are the key properties of [1-(2-propoxyethyl)pyrrol-3-yl]methanamine?
[1-(2-propoxyethyl)pyrrol-3-yl]methanamine has a molecular weight of 182.27 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-propoxyethyl)pyrrol-3-yl]methanamine is sourced from PubChem (CID 106455260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).