1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine

C16H21N — CID 126661597

IUPAC1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine
SMILESC=CC1C=CC(/C(C)=N/C(=C\C)C(=C)C)=CC1
InChIInChI=1S/C16H21N/c1-6-14-8-10-15(11-9-14)13(5)17-16(7-2)12(3)4/h6-8,10-11,14H,1,3,9H2,2,4-5H3/b16-7-,17-13+
InChIKeyWCEYOHNAUYALEA-PPRHCINDSA-N
MW227.35 g/mol
LogP4.62
Rot. Bonds4

About 1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine

1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine (PubChem CID 126661597) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine.

Molecular Properties

Compound Name1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine
PubChem CID126661597
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine
SMILESC=CC1C=CC(/C(C)=N/C(=C\C)C(=C)C)=CC1
InChIInChI=1S/C16H21N/c1-6-14-8-10-15(11-9-14)13(5)17-16(7-2)12(3)4/h6-8,10-11,14H,1,3,9H2,2,4-5H3/b16-7-,17-13+
InChIKeyWCEYOHNAUYALEA-PPRHCINDSA-N
XLogP4.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine?
The IUPAC name of 1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine (CID 126661597) is 1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine.
What is the SMILES notation for 1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine?
The canonical SMILES for 1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine is C=CC1C=CC(/C(C)=N/C(=C\C)C(=C)C)=CC1.
What is the InChIKey of 1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine?
The InChIKey is WCEYOHNAUYALEA-PPRHCINDSA-N. The full InChI is InChI=1S/C16H21N/c1-6-14-8-10-15(11-9-14)13(5)17-16(7-2)12(3)4/h6-8,10-11,14H,1,3,9H2,2,4-5H3/b16-7-,17-13+.
What are the key properties of 1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine?
1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine has a molecular weight of 227.35 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine is sourced from PubChem (CID 126661597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).