3,4-dihydropyridin-5-ylmethanimine

C6H8N2 — CID 57049993

IUPAC3,4-dihydropyridin-5-ylmethanimine
SMILES[H]/N=C/C1=CN=CCC1
InChIInChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h3-5,7H,1-2H2/b7-4+
InChIKeyCTMLMVNSKZVAFO-QPJJXVBHSA-N
MW108.14 g/mol
LogP1.38
Rot. Bonds1

About 3,4-dihydropyridin-5-ylmethanimine

3,4-dihydropyridin-5-ylmethanimine (PubChem CID 57049993) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 3,4-dihydropyridin-5-ylmethanimine.

Molecular Properties

Compound Name3,4-dihydropyridin-5-ylmethanimine
PubChem CID57049993
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name3,4-dihydropyridin-5-ylmethanimine
SMILES[H]/N=C/C1=CN=CCC1
InChIInChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h3-5,7H,1-2H2/b7-4+
InChIKeyCTMLMVNSKZVAFO-QPJJXVBHSA-N
XLogP1.38
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 ≤ 51.38
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 3,4-dihydropyridin-5-ylmethanimine?
The IUPAC name of 3,4-dihydropyridin-5-ylmethanimine (CID 57049993) is 3,4-dihydropyridin-5-ylmethanimine.
What is the SMILES notation for 3,4-dihydropyridin-5-ylmethanimine?
The canonical SMILES for 3,4-dihydropyridin-5-ylmethanimine is [H]/N=C/C1=CN=CCC1.
What is the InChIKey of 3,4-dihydropyridin-5-ylmethanimine?
The InChIKey is CTMLMVNSKZVAFO-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h3-5,7H,1-2H2/b7-4+.
What are the key properties of 3,4-dihydropyridin-5-ylmethanimine?
3,4-dihydropyridin-5-ylmethanimine has a molecular weight of 108.14 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyridin-5-ylmethanimine is sourced from PubChem (CID 57049993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).