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

C8H12N2 — CID 68517921

IUPACN-(1-ethyl-2H-pyridin-6-yl)methanimine
SMILESC=NC1=CC=CCN1CC
InChIInChI=1S/C8H12N2/c1-3-10-7-5-4-6-8(10)9-2/h4-6H,2-3,7H2,1H3
InChIKeyMPKJQKNJYYPMFW-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.42
Rot. Bonds2

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

N-(1-ethyl-2H-pyridin-6-yl)methanimine (PubChem CID 68517921) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-(1-ethyl-2H-pyridin-6-yl)methanimine.

Molecular Properties

Compound NameN-(1-ethyl-2H-pyridin-6-yl)methanimine
PubChem CID68517921
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-(1-ethyl-2H-pyridin-6-yl)methanimine
SMILESC=NC1=CC=CCN1CC
InChIInChI=1S/C8H12N2/c1-3-10-7-5-4-6-8(10)9-2/h4-6H,2-3,7H2,1H3
InChIKeyMPKJQKNJYYPMFW-UHFFFAOYSA-N
XLogP1.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
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 N-(1-ethyl-2H-pyridin-6-yl)methanimine?
The IUPAC name of N-(1-ethyl-2H-pyridin-6-yl)methanimine (CID 68517921) is N-(1-ethyl-2H-pyridin-6-yl)methanimine.
What is the SMILES notation for N-(1-ethyl-2H-pyridin-6-yl)methanimine?
The canonical SMILES for N-(1-ethyl-2H-pyridin-6-yl)methanimine is C=NC1=CC=CCN1CC.
What is the InChIKey of N-(1-ethyl-2H-pyridin-6-yl)methanimine?
The InChIKey is MPKJQKNJYYPMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-10-7-5-4-6-8(10)9-2/h4-6H,2-3,7H2,1H3.
What are the key properties of N-(1-ethyl-2H-pyridin-6-yl)methanimine?
N-(1-ethyl-2H-pyridin-6-yl)methanimine has a molecular weight of 136.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2H-pyridin-6-yl)methanimine is sourced from PubChem (CID 68517921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).