(1-ethyl-2H-pyridin-6-yl)methanimine

C8H12N2 — CID 123557892

IUPAC(1-ethyl-2H-pyridin-6-yl)methanimine
SMILES[H]/N=C/C1=CC=CCN1CC
InChIInChI=1S/C8H12N2/c1-2-10-6-4-3-5-8(10)7-9/h3-5,7,9H,2,6H2,1H3/b9-7+
InChIKeyFFNOOSYAXVAFMN-VQHVLOKHSA-N
MW136.20 g/mol
LogP1.41
Rot. Bonds2

About (1-ethyl-2H-pyridin-6-yl)methanimine

(1-ethyl-2H-pyridin-6-yl)methanimine (PubChem CID 123557892) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (1-ethyl-2H-pyridin-6-yl)methanimine.

Molecular Properties

Compound Name(1-ethyl-2H-pyridin-6-yl)methanimine
PubChem CID123557892
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(1-ethyl-2H-pyridin-6-yl)methanimine
SMILES[H]/N=C/C1=CC=CCN1CC
InChIInChI=1S/C8H12N2/c1-2-10-6-4-3-5-8(10)7-9/h3-5,7,9H,2,6H2,1H3/b9-7+
InChIKeyFFNOOSYAXVAFMN-VQHVLOKHSA-N
XLogP1.41
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-2H-pyridin-6-yl)methanimine?
The IUPAC name of (1-ethyl-2H-pyridin-6-yl)methanimine (CID 123557892) is (1-ethyl-2H-pyridin-6-yl)methanimine.
What is the SMILES notation for (1-ethyl-2H-pyridin-6-yl)methanimine?
The canonical SMILES for (1-ethyl-2H-pyridin-6-yl)methanimine is [H]/N=C/C1=CC=CCN1CC.
What is the InChIKey of (1-ethyl-2H-pyridin-6-yl)methanimine?
The InChIKey is FFNOOSYAXVAFMN-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-10-6-4-3-5-8(10)7-9/h3-5,7,9H,2,6H2,1H3/b9-7+.
What are the key properties of (1-ethyl-2H-pyridin-6-yl)methanimine?
(1-ethyl-2H-pyridin-6-yl)methanimine has a molecular weight of 136.20 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-2H-pyridin-6-yl)methanimine is sourced from PubChem (CID 123557892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).