1-benzyl-2,4-dihydropyridin-3-imine

C12H14N2 — CID 56995867

IUPAC1-benzyl-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1\CC=CN(Cc2ccccc2)C1
InChIInChI=1S/C12H14N2/c13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-6,8,13H,7,9-10H2/b13-12+
InChIKeyRMPKNDQRTAYBDW-OUKQBFOZSA-N
MW186.26 g/mol
LogP2.43
Rot. Bonds2

About 1-benzyl-2,4-dihydropyridin-3-imine

1-benzyl-2,4-dihydropyridin-3-imine (PubChem CID 56995867) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-benzyl-2,4-dihydropyridin-3-imine.

Molecular Properties

Compound Name1-benzyl-2,4-dihydropyridin-3-imine
PubChem CID56995867
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-benzyl-2,4-dihydropyridin-3-imine
SMILES[H]/N=C1\CC=CN(Cc2ccccc2)C1
InChIInChI=1S/C12H14N2/c13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-6,8,13H,7,9-10H2/b13-12+
InChIKeyRMPKNDQRTAYBDW-OUKQBFOZSA-N
XLogP2.43
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.43
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

1-benzyl-2,4-dihydropyridin-3-one
CID 19761155
1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole
CID 162060855
2-benzyl-1H-pyrrolo[1,2-a]pyrazine;hydrobromide
CID 173446350
1-benzylpyrrole-2,5-diimine
CID 151437818
1-benzyl-5-imino-2H-pyrrole-3-carbonitrile
CID 10679437
1-benzyl-3,4-dihydro-2H-pyridine-5-carbonitrile
CID 12883454
1-benzyl-2H-pyridine-3-carboxylic acid
CID 18410440
3-benzyl-1,2-dihydroimidazole
CID 67392024
1-benzyl-3-methyl-2H-imidazole
CID 18674614
1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole
CID 58478707
3-benzyl-1,3-thiazolidin-2-imine
CID 15163853
1-benzyl-3-phenyl-2H-imidazole;dihydrobromide
CID 174997401

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,4-dihydropyridin-3-imine?
The IUPAC name of 1-benzyl-2,4-dihydropyridin-3-imine (CID 56995867) is 1-benzyl-2,4-dihydropyridin-3-imine.
What is the SMILES notation for 1-benzyl-2,4-dihydropyridin-3-imine?
The canonical SMILES for 1-benzyl-2,4-dihydropyridin-3-imine is [H]/N=C1\CC=CN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-2,4-dihydropyridin-3-imine?
The InChIKey is RMPKNDQRTAYBDW-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H14N2/c13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-6,8,13H,7,9-10H2/b13-12+.
What are the key properties of 1-benzyl-2,4-dihydropyridin-3-imine?
1-benzyl-2,4-dihydropyridin-3-imine has a molecular weight of 186.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,4-dihydropyridin-3-imine is sourced from PubChem (CID 56995867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).