N-but-1-enyl-2-but-2-enylidenepyridin-3-imine

C13H16N2 — CID 123221322

IUPACN-but-1-enyl-2-but-2-enylidenepyridin-3-imine
SMILESCC=CC=C1N=CC=C/C1=N\C=CCC
InChIInChI=1S/C13H16N2/c1-3-5-8-12-13(9-7-11-15-12)14-10-6-4-2/h3,5-11H,4H2,1-2H3/b5-3?,10-6?,12-8?,14-13+
InChIKeyJNJHNDBAYWZAQL-BNJAYZLQSA-N
MW200.28 g/mol
LogP3.45
Rot. Bonds3

About N-but-1-enyl-2-but-2-enylidenepyridin-3-imine

N-but-1-enyl-2-but-2-enylidenepyridin-3-imine (PubChem CID 123221322) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-but-1-enyl-2-but-2-enylidenepyridin-3-imine.

Molecular Properties

Compound NameN-but-1-enyl-2-but-2-enylidenepyridin-3-imine
PubChem CID123221322
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC NameN-but-1-enyl-2-but-2-enylidenepyridin-3-imine
SMILESCC=CC=C1N=CC=C/C1=N\C=CCC
InChIInChI=1S/C13H16N2/c1-3-5-8-12-13(9-7-11-15-12)14-10-6-4-2/h3,5-11H,4H2,1-2H3/b5-3?,10-6?,12-8?,14-13+
InChIKeyJNJHNDBAYWZAQL-BNJAYZLQSA-N
XLogP3.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.45
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

6-methanidyl-3H-pyridin-3-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
CID 58055657
2-methanidyl-4H-pyridin-4-ide;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
CID 58055665
[(2E,4Z,6E,8E)-9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium
CID 59109574
2-N-prop-1-en-2-yl-1-N-propylcyclohexa-3,5-diene-1,2-diimine
CID 68004177
(2E)-2-ethylidene-N-methylpyridin-3-imine
CID 68010674
(4Z)-4-ethylidene-N-methylpyridin-3-imine
CID 68179746
2,3-Dihydro-1,5-naphthyridine
CID 68214849
(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine
CID 71158073
[9-(Dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium
CID 72519405
2-ethylidene-N-methylpyridin-3-imine
CID 77385875
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063
(2E)-2-[(Z)-but-2-enylidene]-3H-pyridine
CID 88542841

Frequently Asked Questions

What is the IUPAC name of N-but-1-enyl-2-but-2-enylidenepyridin-3-imine?
The IUPAC name of N-but-1-enyl-2-but-2-enylidenepyridin-3-imine (CID 123221322) is N-but-1-enyl-2-but-2-enylidenepyridin-3-imine.
What is the SMILES notation for N-but-1-enyl-2-but-2-enylidenepyridin-3-imine?
The canonical SMILES for N-but-1-enyl-2-but-2-enylidenepyridin-3-imine is CC=CC=C1N=CC=C/C1=N\C=CCC.
What is the InChIKey of N-but-1-enyl-2-but-2-enylidenepyridin-3-imine?
The InChIKey is JNJHNDBAYWZAQL-BNJAYZLQSA-N. The full InChI is InChI=1S/C13H16N2/c1-3-5-8-12-13(9-7-11-15-12)14-10-6-4-2/h3,5-11H,4H2,1-2H3/b5-3?,10-6?,12-8?,14-13+.
What are the key properties of N-but-1-enyl-2-but-2-enylidenepyridin-3-imine?
N-but-1-enyl-2-but-2-enylidenepyridin-3-imine has a molecular weight of 200.28 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-enyl-2-but-2-enylidenepyridin-3-imine is sourced from PubChem (CID 123221322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).