1-(2-ethoxyethyl)pyrrole-2,5-diamine

C8H15N3O — CID 89286556

IUPAC1-(2-ethoxyethyl)pyrrole-2,5-diamine
SMILESCCOCCn1c(N)ccc1N
InChIInChI=1S/C8H15N3O/c1-2-12-6-5-11-7(9)3-4-8(11)10/h3-4H,2,5-6,9-10H2,1H3
InChIKeyFZSORKYLWBGTCG-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.69
Rot. Bonds4

About 1-(2-ethoxyethyl)pyrrole-2,5-diamine

1-(2-ethoxyethyl)pyrrole-2,5-diamine (PubChem CID 89286556) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)pyrrole-2,5-diamine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)pyrrole-2,5-diamine
PubChem CID89286556
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(2-ethoxyethyl)pyrrole-2,5-diamine
SMILESCCOCCn1c(N)ccc1N
InChIInChI=1S/C8H15N3O/c1-2-12-6-5-11-7(9)3-4-8(11)10/h3-4H,2,5-6,9-10H2,1H3
InChIKeyFZSORKYLWBGTCG-UHFFFAOYSA-N
XLogP0.69
TPSA66.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
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 1-(2-ethoxyethyl)pyrrole-2,5-diamine?
The IUPAC name of 1-(2-ethoxyethyl)pyrrole-2,5-diamine (CID 89286556) is 1-(2-ethoxyethyl)pyrrole-2,5-diamine.
What is the SMILES notation for 1-(2-ethoxyethyl)pyrrole-2,5-diamine?
The canonical SMILES for 1-(2-ethoxyethyl)pyrrole-2,5-diamine is CCOCCn1c(N)ccc1N.
What is the InChIKey of 1-(2-ethoxyethyl)pyrrole-2,5-diamine?
The InChIKey is FZSORKYLWBGTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-12-6-5-11-7(9)3-4-8(11)10/h3-4H,2,5-6,9-10H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)pyrrole-2,5-diamine?
1-(2-ethoxyethyl)pyrrole-2,5-diamine has a molecular weight of 169.23 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)pyrrole-2,5-diamine is sourced from PubChem (CID 89286556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).