1-(methoxymethyl)perimidine

C13H12N2O — CID 830667

IUPAC1-(methoxymethyl)perimidine
SMILESCOCN1C=Nc2cccc3cccc1c23
InChIInChI=1S/C13H12N2O/c1-16-9-15-8-14-11-6-2-4-10-5-3-7-12(15)13(10)11/h2-8H,9H2,1H3
InChIKeyUAWXNRPOFPKIDF-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.92
Rot. Bonds2

About 1-(methoxymethyl)perimidine

1-(methoxymethyl)perimidine (PubChem CID 830667) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(methoxymethyl)perimidine.

Molecular Properties

Compound Name1-(methoxymethyl)perimidine
PubChem CID830667
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1-(methoxymethyl)perimidine
SMILESCOCN1C=Nc2cccc3cccc1c23
InChIInChI=1S/C13H12N2O/c1-16-9-15-8-14-11-6-2-4-10-5-3-7-12(15)13(10)11/h2-8H,9H2,1H3
InChIKeyUAWXNRPOFPKIDF-UHFFFAOYSA-N
XLogP2.92
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(methoxymethyl)perimidine?
The IUPAC name of 1-(methoxymethyl)perimidine (CID 830667) is 1-(methoxymethyl)perimidine.
What is the SMILES notation for 1-(methoxymethyl)perimidine?
The canonical SMILES for 1-(methoxymethyl)perimidine is COCN1C=Nc2cccc3cccc1c23.
What is the InChIKey of 1-(methoxymethyl)perimidine?
The InChIKey is UAWXNRPOFPKIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-16-9-15-8-14-11-6-2-4-10-5-3-7-12(15)13(10)11/h2-8H,9H2,1H3.
What are the key properties of 1-(methoxymethyl)perimidine?
1-(methoxymethyl)perimidine has a molecular weight of 212.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)perimidine is sourced from PubChem (CID 830667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).