N'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide

C22H24N2 — CID 166864724

IUPACN'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide
SMILESC1=CCCC(/C=C/N=C(\N=C\C2=CCCC=C2)C2C=CC=CC2)=C1
InChIInChI=1S/C22H24N2/c1-4-10-19(11-5-1)16-17-23-22(21-14-8-3-9-15-21)24-18-20-12-6-2-7-13-20/h1,3-4,6,8-10,12-14,16-18,21H,2,5,7,11,15H2/b17-16+,23-22-,24-18+
InChIKeySGJGTIYFZHTCPN-UJTLKKTDSA-N
MW316.45 g/mol
LogP5.65
Rot. Bonds4

About N'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide

N'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide (PubChem CID 166864724) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound NameN'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide
PubChem CID166864724
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC NameN'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide
SMILESC1=CCCC(/C=C/N=C(\N=C\C2=CCCC=C2)C2C=CC=CC2)=C1
InChIInChI=1S/C22H24N2/c1-4-10-19(11-5-1)16-17-23-22(21-14-8-3-9-15-21)24-18-20-12-6-2-7-13-20/h1,3-4,6,8-10,12-14,16-18,21H,2,5,7,11,15H2/b17-16+,23-22-,24-18+
InChIKeySGJGTIYFZHTCPN-UJTLKKTDSA-N
XLogP5.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.65
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of N'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide (CID 166864724) is N'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for N'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for N'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide is C1=CCCC(/C=C/N=C(\N=C\C2=CCCC=C2)C2C=CC=CC2)=C1.
What is the InChIKey of N'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is SGJGTIYFZHTCPN-UJTLKKTDSA-N. The full InChI is InChI=1S/C22H24N2/c1-4-10-19(11-5-1)16-17-23-22(21-14-8-3-9-15-21)24-18-20-12-6-2-7-13-20/h1,3-4,6,8-10,12-14,16-18,21H,2,5,7,11,15H2/b17-16+,23-22-,24-18+.
What are the key properties of N'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide?
N'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 316.45 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 166864724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).