4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine

C14H19N3 — CID 143370914

IUPAC4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine
SMILESC=C(CC)/N=C1\C=CN(C(=C)C)C(=C)\C1=N/C
InChIInChI=1S/C14H19N3/c1-7-11(4)16-13-8-9-17(10(2)3)12(5)14(13)15-6/h8-9H,2,4-5,7H2,1,3,6H3/b15-14+,16-13+
InChIKeyBMYLEVXIXZFYLL-SWYPJHQNSA-N
MW229.33 g/mol
LogP3.30
Rot. Bonds3

About 4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine

4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine (PubChem CID 143370914) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine.

Molecular Properties

Compound Name4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine
PubChem CID143370914
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine
SMILESC=C(CC)/N=C1\C=CN(C(=C)C)C(=C)\C1=N/C
InChIInChI=1S/C14H19N3/c1-7-11(4)16-13-8-9-17(10(2)3)12(5)14(13)15-6/h8-9H,2,4-5,7H2,1,3,6H3/b15-14+,16-13+
InChIKeyBMYLEVXIXZFYLL-SWYPJHQNSA-N
XLogP3.30
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine?
The IUPAC name of 4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine (CID 143370914) is 4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine.
What is the SMILES notation for 4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine?
The canonical SMILES for 4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine is C=C(CC)/N=C1\C=CN(C(=C)C)C(=C)\C1=N/C.
What is the InChIKey of 4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine?
The InChIKey is BMYLEVXIXZFYLL-SWYPJHQNSA-N. The full InChI is InChI=1S/C14H19N3/c1-7-11(4)16-13-8-9-17(10(2)3)12(5)14(13)15-6/h8-9H,2,4-5,7H2,1,3,6H3/b15-14+,16-13+.
What are the key properties of 4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine?
4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine has a molecular weight of 229.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine is sourced from PubChem (CID 143370914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).