(2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide

C14H20N2 — CID 144535800

IUPAC(2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide
SMILESC=C/C=C(C(=C)CC)/C(/N=C/C)=N\C(=C)C
InChIInChI=1S/C14H20N2/c1-7-10-13(12(6)8-2)14(15-9-3)16-11(4)5/h7,9-10H,1,4,6,8H2,2-3,5H3/b13-10+,15-9+,16-14-
InChIKeyIZRCZJQTPYFIRX-RFMWVACDSA-N
MW216.33 g/mol
LogP4.09
Rot. Bonds5

About (2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide

(2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide (PubChem CID 144535800) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide
PubChem CID144535800
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide
SMILESC=C/C=C(C(=C)CC)/C(/N=C/C)=N\C(=C)C
InChIInChI=1S/C14H20N2/c1-7-10-13(12(6)8-2)14(15-9-3)16-11(4)5/h7,9-10H,1,4,6,8H2,2-3,5H3/b13-10+,15-9+,16-14-
InChIKeyIZRCZJQTPYFIRX-RFMWVACDSA-N
XLogP4.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide
CID 144934445
4,10,12-Triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 69657213
(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797
(5Z,6E)-6-ethylidene-5-prop-2-enylidene-3,4-dihydropyridine
CID 89200020
4,5-Di(propan-2-yl)pyrrolo[2,3-b]pyrrole
CID 90310340
(4E,5E)-4-ethylidene-5-prop-2-enylidenepyrimidine
CID 117650593
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-3,4-dihydropyridine
CID 117906908
3-(4-Butyl-6-ethylidene-2-methylpyrimidin-5-ylidene)prop-2-en-1-imine
CID 123783644
[(2E,8E,10E)-8-methyl-7-methylidene-10-(2-methyl-4-methylidenepyrimidin-5-ylidene)deca-2,4,8-trien-3-yl]phosphane
CID 126516035
(5E)-5-[(E)-3-(4-ethylcyclohepta-1,3,5,6-tetraen-1-yl)but-2-enylidene]-2-methyl-4-methylidenepyrimidine
CID 126516227
(4Z,5E)-5-[(2E,5Z,7Z)-5-ethenyl-3,7-dimethylnona-2,5,7-trienylidene]-4-propylidenepyrimidine
CID 126516283
(5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine
CID 126516413

Frequently Asked Questions

What is the IUPAC name of (2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide?
The IUPAC name of (2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide (CID 144535800) is (2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide.
What is the SMILES notation for (2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide?
The canonical SMILES for (2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide is C=C/C=C(C(=C)CC)/C(/N=C/C)=N\C(=C)C.
What is the InChIKey of (2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide?
The InChIKey is IZRCZJQTPYFIRX-RFMWVACDSA-N. The full InChI is InChI=1S/C14H20N2/c1-7-10-13(12(6)8-2)14(15-9-3)16-11(4)5/h7,9-10H,1,4,6,8H2,2-3,5H3/b13-10+,15-9+,16-14-.
What are the key properties of (2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide?
(2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide has a molecular weight of 216.33 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide is sourced from PubChem (CID 144535800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).