(E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide

C14H20N4 — CID 130256138

IUPAC(E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide
SMILESC=C/C=N/N=C\C=C(C)\C(N)=N\C(C=C)=C\CC
InChIInChI=1S/C14H20N4/c1-5-8-13(7-3)18-14(15)12(4)9-11-17-16-10-6-2/h6-11H,2-3,5H2,1,4H3,(H2,15,18)/b12-9+,13-8+,16-10+,17-11-
InChIKeyNIQXQRDTGRCHBM-XBQOXGRZSA-N
MW244.34 g/mol
LogP3.01
Rot. Bonds7

About (E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide

(E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide (PubChem CID 130256138) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is (E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide.

Molecular Properties

Compound Name(E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide
PubChem CID130256138
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name(E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide
SMILESC=C/C=N/N=C\C=C(C)\C(N)=N\C(C=C)=C\CC
InChIInChI=1S/C14H20N4/c1-5-8-13(7-3)18-14(15)12(4)9-11-17-16-10-6-2/h6-11H,2-3,5H2,1,4H3,(H2,15,18)/b12-9+,13-8+,16-10+,17-11-
InChIKeyNIQXQRDTGRCHBM-XBQOXGRZSA-N
XLogP3.01
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N'-[C-cyano-N-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]carbonimidoyl]-2-(ethylideneamino)but-2-enimidamide
CID 144379478
3-Methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium
CID 90857939
(4E,5E)-4-ethylidene-5-prop-2-enylidenepyrimidine
CID 117650593
N-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-2-pyridinyl]-4,5-dihydropyrimidin-2-amine
CID 117813836
(2E,4Z)-N-(aminomethylidene)-N',2-dimethyl-4-(methylideneamino)-5-(propylideneamino)penta-2,4-dienimidamide
CID 118973188
N-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide
CID 123310194
N'-(3,4-dihydropyridin-6-ylmethylideneamino)-6-ethyl-N-imino-2-methylideneocta-3,6-dienimidamide
CID 123801275
(2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide
CID 123983054
(5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine
CID 126516413
2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine
CID 129103002
(3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine
CID 134333668
(5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine
CID 134443369

Frequently Asked Questions

What is the IUPAC name of (E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide?
The IUPAC name of (E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide (CID 130256138) is (E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide.
What is the SMILES notation for (E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide?
The canonical SMILES for (E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide is C=C/C=N/N=C\C=C(C)\C(N)=N\C(C=C)=C\CC.
What is the InChIKey of (E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide?
The InChIKey is NIQXQRDTGRCHBM-XBQOXGRZSA-N. The full InChI is InChI=1S/C14H20N4/c1-5-8-13(7-3)18-14(15)12(4)9-11-17-16-10-6-2/h6-11H,2-3,5H2,1,4H3,(H2,15,18)/b12-9+,13-8+,16-10+,17-11-.
What are the key properties of (E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide?
(E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide has a molecular weight of 244.34 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide is sourced from PubChem (CID 130256138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).