1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine

C23H28N2 — CID 135199090

IUPAC1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine
SMILESC=C/C=C(\N=C(/C)C1=CCCCC1)c1nc(/C(C=C)=C/C)ccc1C
InChIInChI=1S/C23H28N2/c1-6-12-22(24-18(5)20-13-10-9-11-14-20)23-17(4)15-16-21(25-23)19(7-2)8-3/h6-8,12-13,15-16H,1-2,9-11,14H2,3-5H3/b19-8+,22-12-,24-18+
InChIKeyHJKJFKOCSPMLCF-GPNGVDPDSA-N
MW332.49 g/mol
LogP6.47
Rot. Bonds6

About 1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine

1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine (PubChem CID 135199090) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine
PubChem CID135199090
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine
SMILESC=C/C=C(\N=C(/C)C1=CCCCC1)c1nc(/C(C=C)=C/C)ccc1C
InChIInChI=1S/C23H28N2/c1-6-12-22(24-18(5)20-13-10-9-11-14-20)23-17(4)15-16-21(25-23)19(7-2)8-3/h6-8,12-13,15-16H,1-2,9-11,14H2,3-5H3/b19-8+,22-12-,24-18+
InChIKeyHJKJFKOCSPMLCF-GPNGVDPDSA-N
XLogP6.47
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine with MolForge

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Related Compounds

Pheniramine
CID 4761
2,6-Lutidine
CID 7937
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Anabaseine
CID 18985
2,4,6-Trimethylpyridine
CID 7953
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2,4-Dimethylquinoline
CID 14536
Sib 1893
CID 5311432
Adx 10059
CID 10331863
Mpep
CID 3025961
2,3,6-Trimethylpyridine
CID 15100
6,6'-Bi-2-picoline
CID 20445

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine (CID 135199090) is 1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine is C=C/C=C(\N=C(/C)C1=CCCCC1)c1nc(/C(C=C)=C/C)ccc1C.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine?
The InChIKey is HJKJFKOCSPMLCF-GPNGVDPDSA-N. The full InChI is InChI=1S/C23H28N2/c1-6-12-22(24-18(5)20-13-10-9-11-14-20)23-17(4)15-16-21(25-23)19(7-2)8-3/h6-8,12-13,15-16H,1-2,9-11,14H2,3-5H3/b19-8+,22-12-,24-18+.
What are the key properties of 1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine?
1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine has a molecular weight of 332.49 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-[(1Z)-1-[3-methyl-6-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]buta-1,3-dienyl]ethanimine is sourced from PubChem (CID 135199090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).