1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine

C16H17N — CID 145064043

IUPAC1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine
SMILESC=C(/N=C(\C)C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C16H17N/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16/h3,5-7,9-12H,1,4,8H2,2H3/b17-14+
InChIKeyHTRIABNKNVACBQ-SAPNQHFASA-N
MW223.32 g/mol
LogP4.39
Rot. Bonds3

About 1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine

1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine (PubChem CID 145064043) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine
PubChem CID145064043
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine
SMILESC=C(/N=C(\C)C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C16H17N/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16/h3,5-7,9-12H,1,4,8H2,2H3/b17-14+
InChIKeyHTRIABNKNVACBQ-SAPNQHFASA-N
XLogP4.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine (CID 145064043) is 1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine is C=C(/N=C(\C)C1=CCCC=C1)c1ccccc1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine?
The InChIKey is HTRIABNKNVACBQ-SAPNQHFASA-N. The full InChI is InChI=1S/C16H17N/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16/h3,5-7,9-12H,1,4,8H2,2H3/b17-14+.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine?
1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine has a molecular weight of 223.32 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-N-(1-phenylethenyl)ethanimine is sourced from PubChem (CID 145064043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).