3,4-dihydropyridin-4-ylmethanimine

C6H8N2 — CID 57169867

IUPAC3,4-dihydropyridin-4-ylmethanimine
SMILES[H]/N=C/C1C=CN=CC1
InChIInChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1,3-7H,2H2/b7-5+
InChIKeyNUCCCWKXXMXWLD-FNORWQNLSA-N
MW108.14 g/mol
LogP1.24
Rot. Bonds1

About 3,4-dihydropyridin-4-ylmethanimine

3,4-dihydropyridin-4-ylmethanimine (PubChem CID 57169867) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 3,4-dihydropyridin-4-ylmethanimine.

Molecular Properties

Compound Name3,4-dihydropyridin-4-ylmethanimine
PubChem CID57169867
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name3,4-dihydropyridin-4-ylmethanimine
SMILES[H]/N=C/C1C=CN=CC1
InChIInChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1,3-7H,2H2/b7-5+
InChIKeyNUCCCWKXXMXWLD-FNORWQNLSA-N
XLogP1.24
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 ≤ 51.24
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-4-ylmethanimine?
The IUPAC name of 3,4-dihydropyridin-4-ylmethanimine (CID 57169867) is 3,4-dihydropyridin-4-ylmethanimine.
What is the SMILES notation for 3,4-dihydropyridin-4-ylmethanimine?
The canonical SMILES for 3,4-dihydropyridin-4-ylmethanimine is [H]/N=C/C1C=CN=CC1.
What is the InChIKey of 3,4-dihydropyridin-4-ylmethanimine?
The InChIKey is NUCCCWKXXMXWLD-FNORWQNLSA-N. The full InChI is InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1,3-7H,2H2/b7-5+.
What are the key properties of 3,4-dihydropyridin-4-ylmethanimine?
3,4-dihydropyridin-4-ylmethanimine has a molecular weight of 108.14 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyridin-4-ylmethanimine is sourced from PubChem (CID 57169867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).