N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine

C20H23N — CID 140968860

IUPACN-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine
SMILESC1=C/C(=N\C2CCCCC2)C(C=Cc2ccccc2)C=C1
InChIInChI=1S/C20H23N/c1-3-9-17(10-4-1)15-16-18-11-7-8-14-20(18)21-19-12-5-2-6-13-19/h1,3-4,7-11,14-16,18-19H,2,5-6,12-13H2/b16-15?,21-20+
InChIKeyRWWWDBKYEDSWRB-BJCWSORCSA-N
MW277.41 g/mol
LogP5.22
Rot. Bonds3

About N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine

N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine (PubChem CID 140968860) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine
PubChem CID140968860
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine
SMILESC1=C/C(=N\C2CCCCC2)C(C=Cc2ccccc2)C=C1
InChIInChI=1S/C20H23N/c1-3-9-17(10-4-1)15-16-18-11-7-8-14-20(18)21-19-12-5-2-6-13-19/h1,3-4,7-11,14-16,18-19H,2,5-6,12-13H2/b16-15?,21-20+
InChIKeyRWWWDBKYEDSWRB-BJCWSORCSA-N
XLogP5.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.22
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 N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine (CID 140968860) is N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine is C1=C/C(=N\C2CCCCC2)C(C=Cc2ccccc2)C=C1.
What is the InChIKey of N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine?
The InChIKey is RWWWDBKYEDSWRB-BJCWSORCSA-N. The full InChI is InChI=1S/C20H23N/c1-3-9-17(10-4-1)15-16-18-11-7-8-14-20(18)21-19-12-5-2-6-13-19/h1,3-4,7-11,14-16,18-19H,2,5-6,12-13H2/b16-15?,21-20+.
What are the key properties of N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine?
N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine has a molecular weight of 277.41 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 140968860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).