N-(2,3-dihydropyridin-4-yl)methanimine

C6H8N2 — CID 123278686

IUPACN-(2,3-dihydropyridin-4-yl)methanimine
SMILESC=NC1=CC=NCC1
InChIInChI=1S/C6H8N2/c1-7-6-2-4-8-5-3-6/h2,4H,1,3,5H2
InChIKeyOSRDBKKMYLCRLR-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.05
Rot. Bonds1

About N-(2,3-dihydropyridin-4-yl)methanimine

N-(2,3-dihydropyridin-4-yl)methanimine (PubChem CID 123278686) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is N-(2,3-dihydropyridin-4-yl)methanimine.

Molecular Properties

Compound NameN-(2,3-dihydropyridin-4-yl)methanimine
PubChem CID123278686
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC NameN-(2,3-dihydropyridin-4-yl)methanimine
SMILESC=NC1=CC=NCC1
InChIInChI=1S/C6H8N2/c1-7-6-2-4-8-5-3-6/h2,4H,1,3,5H2
InChIKeyOSRDBKKMYLCRLR-UHFFFAOYSA-N
XLogP1.05
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dihydropyridin-4(1h)-imine
CID 19906283
N,N,2-trifluoro-2,3-dihydropyridin-4-amine
CID 45090483
6-Methyl-3,4-dihydropyridine
CID 14979256
6-Ethyl-3,4-dihydropyridine
CID 14979257
N-pent-2-en-3-ylethanimine
CID 20761973
2-methylidene-3H-pyridine
CID 45079590
N,N-dimethyl-2,3-dihydropyridin-4-amine
CID 53922584
2,3-Dihydropyridin-5-amine
CID 54086038
3H-pyridin-1-ium-5-amine
CID 57035951
(2E)-2-ethylidene-N-methylpyridin-3-imine
CID 68010674
2,3-Dihydro-1,5-naphthyridine
CID 68214849
2-ethylidene-N-methylpyridin-3-imine
CID 77385875

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydropyridin-4-yl)methanimine?
The IUPAC name of N-(2,3-dihydropyridin-4-yl)methanimine (CID 123278686) is N-(2,3-dihydropyridin-4-yl)methanimine.
What is the SMILES notation for N-(2,3-dihydropyridin-4-yl)methanimine?
The canonical SMILES for N-(2,3-dihydropyridin-4-yl)methanimine is C=NC1=CC=NCC1.
What is the InChIKey of N-(2,3-dihydropyridin-4-yl)methanimine?
The InChIKey is OSRDBKKMYLCRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-7-6-2-4-8-5-3-6/h2,4H,1,3,5H2.
What are the key properties of N-(2,3-dihydropyridin-4-yl)methanimine?
N-(2,3-dihydropyridin-4-yl)methanimine has a molecular weight of 108.14 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydropyridin-4-yl)methanimine is sourced from PubChem (CID 123278686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).