(2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide

C16H28N4 — CID 123983054

IUPAC(2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide
SMILESC=NC(/C(N)=N/CC)=C(\N=C\CCCC)C(/C)=C/CC
InChIInChI=1S/C16H28N4/c1-6-9-10-12-20-14(13(4)11-7-2)15(18-5)16(17)19-8-3/h11-12H,5-10H2,1-4H3,(H2,17,19)/b13-11+,15-14-,20-12+
InChIKeyXDJPZWUHJMEVJR-BWACJNFKSA-N
MW276.43 g/mol
LogP3.89
Rot. Bonds9

About (2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide

(2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide (PubChem CID 123983054) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is (2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide.

Molecular Properties

Compound Name(2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide
PubChem CID123983054
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name(2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide
SMILESC=NC(/C(N)=N/CC)=C(\N=C\CCCC)C(/C)=C/CC
InChIInChI=1S/C16H28N4/c1-6-9-10-12-20-14(13(4)11-7-2)15(18-5)16(17)19-8-3/h11-12H,5-10H2,1-4H3,(H2,17,19)/b13-11+,15-14-,20-12+
InChIKeyXDJPZWUHJMEVJR-BWACJNFKSA-N
XLogP3.89
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

(Z)-N'-[C-cyano-N-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]carbonimidoyl]-2-(ethylideneamino)but-2-enimidamide
CID 144379478
(5E)-5-[(2E,4E)-3,4-dimethylhexa-2,4-dienylidene]-2-methyl-4-methylidenepyrimidine
CID 126516413
(E,4Z)-N'-[(3E)-hexa-1,3-dien-3-yl]-2-methyl-4-[(E)-prop-2-enylidenehydrazinylidene]but-2-enimidamide
CID 130256138
N-[(3E,4E)-6-[[(Z)-but-2-enylidene]amino]-3-ethylidene-2-methylidene-5-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-4,6-dienylidene]-N'-methylethanimidamide
CID 135198921
(Z)-N'-[C-cyano-N-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]carbonimidoyl]-2-(ethylideneamino)but-2-enimidamide;ethane
CID 144379477
(3E,4Z)-2-N-[(E)-3-[[5-[(1Z)-buta-1,3-dienyl]-2,3-dihydropyridin-6-yl]imino]prop-1-enyl]-3-ethylidenehepta-4,6-diene-1,2-diimine
CID 177047334
7-methanimidoyl-4-methyl-3H-azepine-2,6-diamine
CID 162731207

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide?
The IUPAC name of (2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide (CID 123983054) is (2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide.
What is the SMILES notation for (2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide?
The canonical SMILES for (2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide is C=NC(/C(N)=N/CC)=C(\N=C\CCCC)C(/C)=C/CC.
What is the InChIKey of (2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide?
The InChIKey is XDJPZWUHJMEVJR-BWACJNFKSA-N. The full InChI is InChI=1S/C16H28N4/c1-6-9-10-12-20-14(13(4)11-7-2)15(18-5)16(17)19-8-3/h11-12H,5-10H2,1-4H3,(H2,17,19)/b13-11+,15-14-,20-12+.
What are the key properties of (2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide?
(2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide has a molecular weight of 276.43 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N'-ethyl-4-methyl-2-(methylideneamino)-3-(pentylideneamino)hepta-2,4-dienimidamide is sourced from PubChem (CID 123983054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).