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

C20H37N3 — CID 143370913

IUPAC4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine;ethane
SMILESC=C(CC)/N=C1\C=CN(C(=C)C)C(=C)\C1=N/C.CC.CC.CC
InChIInChI=1S/C14H19N3.3C2H6/c1-7-11(4)16-13-8-9-17(10(2)3)12(5)14(13)15-6;3*1-2/h8-9H,2,4-5,7H2,1,3,6H3;3*1-2H3/b15-14+,16-13+;;;
InChIKeyWQTWZUCXKONJCY-VCIKEBNVSA-N
MW319.54 g/mol
LogP6.38
Rot. Bonds3

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

4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine;ethane (PubChem CID 143370913) has the molecular formula C20H37N3 and a molecular weight of 319.54 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;ethane.

Molecular Properties

Compound Name4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine;ethane
PubChem CID143370913
Molecular FormulaC20H37N3
Molecular Weight319.54 g/mol
Exact Mass319.30
IUPAC Name4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine;ethane
SMILESC=C(CC)/N=C1\C=CN(C(=C)C)C(=C)\C1=N/C.CC.CC.CC
InChIInChI=1S/C14H19N3.3C2H6/c1-7-11(4)16-13-8-9-17(10(2)3)12(5)14(13)15-6;3*1-2/h8-9H,2,4-5,7H2,1,3,6H3;3*1-2H3/b15-14+,16-13+;;;
InChIKeyWQTWZUCXKONJCY-VCIKEBNVSA-N
XLogP6.38
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.54
LogP ≤ 56.38
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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Related Compounds

2,3,4-Trimethyl-6-propylpyrazine
CID 123522565
N,1-dimethyl-2,3-dihydropyridin-4-imine
CID 56625157
1-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57239418
1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57244631
1-[(2S)-butan-2-yl]-3,6-diethyl-2H-pyrazine
CID 150909920
1,3,5-tris(prop-2-enyl)-2H-pyrazine
CID 175714929
4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine
CID 143370914

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;ethane?
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;ethane (CID 143370913) is 4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine;ethane.
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;ethane?
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;ethane is C=C(CC)/N=C1\C=CN(C(=C)C)C(=C)\C1=N/C.CC.CC.CC.
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;ethane?
The InChIKey is WQTWZUCXKONJCY-VCIKEBNVSA-N. The full InChI is InChI=1S/C14H19N3.3C2H6/c1-7-11(4)16-13-8-9-17(10(2)3)12(5)14(13)15-6;3*1-2/h8-9H,2,4-5,7H2,1,3,6H3;3*1-2H3/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;ethane?
4-N-but-1-en-2-yl-3-N-methyl-2-methylidene-1-prop-1-en-2-ylpyridine-3,4-diimine;ethane has a molecular weight of 319.54 g/mol, XLogP of 6.38, 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;ethane is sourced from PubChem (CID 143370913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).