(2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide

C24H32N2 — CID 90813969

IUPAC(2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide
SMILESC=CC(C)/C=C/C(=N\CCC(=C)C1=CC=CCC1)NC1=CCC(C)C=C1
InChIInChI=1S/C24H32N2/c1-5-19(2)13-16-24(26-23-14-11-20(3)12-15-23)25-18-17-21(4)22-9-7-6-8-10-22/h5-7,9,11,13-16,19-20H,1,4,8,10,12,17-18H2,2-3H3,(H,25,26)/b16-13+
InChIKeyUQPWBZKSSGUNKQ-DTQAZKPQSA-N
MW348.53 g/mol
LogP6.06
Rot. Bonds8

About (2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide

(2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide (PubChem CID 90813969) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is (2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide.

Molecular Properties

Compound Name(2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide
PubChem CID90813969
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name(2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide
SMILESC=CC(C)/C=C/C(=N\CCC(=C)C1=CC=CCC1)NC1=CCC(C)C=C1
InChIInChI=1S/C24H32N2/c1-5-19(2)13-16-24(26-23-14-11-20(3)12-15-23)25-18-17-21(4)22-9-7-6-8-10-22/h5-7,9,11,13-16,19-20H,1,4,8,10,12,17-18H2,2-3H3,(H,25,26)/b16-13+
InChIKeyUQPWBZKSSGUNKQ-DTQAZKPQSA-N
XLogP6.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.06
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[N-(4-fluoro-5-methyl-2-methylidenehept-3-enyl)-C-methylcarbonimidoyl]-6-methyl-3-methylidene-N-prop-1-enyl-1,4-dihydropyridin-2-imine
CID 137031858
N-[(3E,5Z,7Z)-5-ethenyl-3-(2-fluoropropan-2-yl)-7-methylnona-1,3,5,7-tetraen-4-yl]-N'-(4-methylcyclohexyl)ethanimidamide
CID 173922770
4-Cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-methyl-1,4-dihydropyrimidine
CID 89603847
N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide
CID 90949376
2-methyl-8-methylidene-7-nona-3,6,8-trienyl-4-propyl-4,5-dihydro-1H-1,3-diazocine
CID 123682734
(E)-6-amino-3-methyl-N'-[(3Z)-6-methylhepta-1,3,6-trien-2-yl]-N-(2-propan-2-ylhexa-2,4-dienyl)-N-propylhex-2-enimidamide
CID 123824883
2,4-Dimethyl-6-(4-pentylcyclohexa-2,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine
CID 126727969
N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide
CID 134365026
N-ethyl-3,4,5,6-tetrahydro-1H-quinolin-2-imine
CID 141844245
2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine;(Z)-3,4-dimethyloct-4-ene
CID 142511349
N-[(3Z)-4-[6-[(4E,7E)-5-ethenyl-7-[(Z)-prop-1-enyl]cycloocta-2,4,7-trien-1-yl]-1-methyl-4H-pyrimidin-2-yl]buta-1,3-dien-2-yl]cyclohexanamine
CID 143419223
butane;(Z)-N-[4-[(3Z,5E,6Z)-4,10-diethyl-5-ethylidene-7-methyltrideca-3,6-dien-6-yl]-2,5-dimethylidenepyrrol-3-yl]-N'-[(Z)-prop-1-enyl]but-2-enimidamide;ethane
CID 144539706

Frequently Asked Questions

What is the IUPAC name of (2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide?
The IUPAC name of (2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide (CID 90813969) is (2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide.
What is the SMILES notation for (2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide?
The canonical SMILES for (2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide is C=CC(C)/C=C/C(=N\CCC(=C)C1=CC=CCC1)NC1=CCC(C)C=C1.
What is the InChIKey of (2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide?
The InChIKey is UQPWBZKSSGUNKQ-DTQAZKPQSA-N. The full InChI is InChI=1S/C24H32N2/c1-5-19(2)13-16-24(26-23-14-11-20(3)12-15-23)25-18-17-21(4)22-9-7-6-8-10-22/h5-7,9,11,13-16,19-20H,1,4,8,10,12,17-18H2,2-3H3,(H,25,26)/b16-13+.
What are the key properties of (2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide?
(2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide has a molecular weight of 348.53 g/mol, XLogP of 6.06, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N'-(3-cyclohexa-1,3-dien-1-ylbut-3-enyl)-4-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)hexa-2,5-dienimidamide is sourced from PubChem (CID 90813969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).