1-ethylperimidine

C13H12N2 — CID 750289

IUPAC1-ethylperimidine
SMILESCCN1C=Nc2cccc3cccc1c23
InChIInChI=1S/C13H12N2/c1-2-15-9-14-11-7-3-5-10-6-4-8-12(15)13(10)11/h3-9H,2H2,1H3
InChIKeyCQHQYCYSGAZQKE-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.34
Rot. Bonds1

About 1-ethylperimidine

1-ethylperimidine (PubChem CID 750289) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-ethylperimidine.

Molecular Properties

Compound Name1-ethylperimidine
PubChem CID750289
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name1-ethylperimidine
SMILESCCN1C=Nc2cccc3cccc1c23
InChIInChI=1S/C13H12N2/c1-2-15-9-14-11-7-3-5-10-6-4-8-12(15)13(10)11/h3-9H,2H2,1H3
InChIKeyCQHQYCYSGAZQKE-UHFFFAOYSA-N
XLogP3.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethylperimidine?
The IUPAC name of 1-ethylperimidine (CID 750289) is 1-ethylperimidine.
What is the SMILES notation for 1-ethylperimidine?
The canonical SMILES for 1-ethylperimidine is CCN1C=Nc2cccc3cccc1c23.
What is the InChIKey of 1-ethylperimidine?
The InChIKey is CQHQYCYSGAZQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-15-9-14-11-7-3-5-10-6-4-8-12(15)13(10)11/h3-9H,2H2,1H3.
What are the key properties of 1-ethylperimidine?
1-ethylperimidine has a molecular weight of 196.25 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylperimidine is sourced from PubChem (CID 750289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).