7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide

C22H24N2 — CID 142385048

IUPAC7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide
SMILESC=C/C=C\C1=C(C)CC=CC=C1/C(N=C)=N\C(=C)C1=CCCC=C1
InChIInChI=1S/C22H24N2/c1-5-6-15-20-17(2)12-10-11-16-21(20)22(23-4)24-18(3)19-13-8-7-9-14-19/h5-6,8,10-11,13-16H,1,3-4,7,9,12H2,2H3/b15-6-,24-22+
InChIKeySUVVWRLFPPZIPO-NDSHBESESA-N
MW316.45 g/mol
LogP5.82
Rot. Bonds5

About 7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide

7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide (PubChem CID 142385048) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide.

Molecular Properties

Compound Name7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide
PubChem CID142385048
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide
SMILESC=C/C=C\C1=C(C)CC=CC=C1/C(N=C)=N\C(=C)C1=CCCC=C1
InChIInChI=1S/C22H24N2/c1-5-6-15-20-17(2)12-10-11-16-21(20)22(23-4)24-18(3)19-13-8-7-9-14-19/h5-6,8,10-11,13-16H,1,3-4,7,9,12H2,2H3/b15-6-,24-22+
InChIKeySUVVWRLFPPZIPO-NDSHBESESA-N
XLogP5.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.82
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

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CID 70316666
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6-methyl-6H-cyclohepta[d]pyrimidine
CID 89129896
(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine
CID 90136221
(4E,5E)-4-ethylidene-5-prop-2-enylidenepyrimidine
CID 117650593
N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide
CID 123319103
N-[(5E)-5,6-di(ethylidene)pyrimidin-4-yl]pent-1-en-3-imine
CID 123454928
5-(4-Ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine
CID 123864881
(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
(5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine
CID 126599083

Frequently Asked Questions

What is the IUPAC name of 7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide?
The IUPAC name of 7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide (CID 142385048) is 7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide.
What is the SMILES notation for 7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide?
The canonical SMILES for 7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide is C=C/C=C\C1=C(C)CC=CC=C1/C(N=C)=N\C(=C)C1=CCCC=C1.
What is the InChIKey of 7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide?
The InChIKey is SUVVWRLFPPZIPO-NDSHBESESA-N. The full InChI is InChI=1S/C22H24N2/c1-5-6-15-20-17(2)12-10-11-16-21(20)22(23-4)24-18(3)19-13-8-7-9-14-19/h5-6,8,10-11,13-16H,1,3-4,7,9,12H2,2H3/b15-6-,24-22+.
What are the key properties of 7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide?
7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide has a molecular weight of 316.45 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide is sourced from PubChem (CID 142385048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).