2,3-dihydropyridin-6-ylmethanimine

C6H8N2 — CID 123981433

IUPAC2,3-dihydropyridin-6-ylmethanimine
SMILES[H]/N=C/C1=NCCC=C1
InChIInChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1,3,5,7H,2,4H2/b7-5+
InChIKeyNLHMYJFFADXSPH-FNORWQNLSA-N
MW108.14 g/mol
LogP1.04
Rot. Bonds1

About 2,3-dihydropyridin-6-ylmethanimine

2,3-dihydropyridin-6-ylmethanimine (PubChem CID 123981433) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2,3-dihydropyridin-6-ylmethanimine.

Molecular Properties

Compound Name2,3-dihydropyridin-6-ylmethanimine
PubChem CID123981433
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2,3-dihydropyridin-6-ylmethanimine
SMILES[H]/N=C/C1=NCCC=C1
InChIInChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1,3,5,7H,2,4H2/b7-5+
InChIKeyNLHMYJFFADXSPH-FNORWQNLSA-N
XLogP1.04
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydropyridin-2-amine
CID 18669108
Bis(imino)pyridine
CID 21972427
(3-Fluoro-2,3-dihydropyridin-6-yl)methanamine
CID 91464248
N-butyl-2H-pyridin-3-imine
CID 19388629
3-Iminopyridine
CID 21332821
Iron(2+);pyridine-2,3-diimine
CID 22134474
Cobalt(2+);pyridine-2,3-diimine
CID 22244856
Pent-2-ene-1,5-diimine
CID 53718158
2,6-Dihydroazepin-3-imine
CID 57316147
(Z)-pent-2-ene-1,4-diimine
CID 59089718
Iron;pyridine-2,3-diimine
CID 66847494
N-propan-2-yl-2H-pyridin-3-imine
CID 69530945

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridin-6-ylmethanimine?
The IUPAC name of 2,3-dihydropyridin-6-ylmethanimine (CID 123981433) is 2,3-dihydropyridin-6-ylmethanimine.
What is the SMILES notation for 2,3-dihydropyridin-6-ylmethanimine?
The canonical SMILES for 2,3-dihydropyridin-6-ylmethanimine is [H]/N=C/C1=NCCC=C1.
What is the InChIKey of 2,3-dihydropyridin-6-ylmethanimine?
The InChIKey is NLHMYJFFADXSPH-FNORWQNLSA-N. The full InChI is InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1,3,5,7H,2,4H2/b7-5+.
What are the key properties of 2,3-dihydropyridin-6-ylmethanimine?
2,3-dihydropyridin-6-ylmethanimine has a molecular weight of 108.14 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridin-6-ylmethanimine is sourced from PubChem (CID 123981433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).