(6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine

C16H21N — CID 166670925

IUPAC(6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=CC=C\C1=C\CC1CCCCC1
InChIInChI=1S/C16H21N/c1-2-17-16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h2,6-7,10-11,13-14H,1,3-5,8-9,12H2/b15-13-,17-16+
InChIKeyKSZFMBBQCWDTNL-OBJKYRPYSA-N
MW227.35 g/mol
LogP4.59
Rot. Bonds3

About (6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine

(6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine (PubChem CID 166670925) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine
PubChem CID166670925
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=CC=C\C1=C\CC1CCCCC1
InChIInChI=1S/C16H21N/c1-2-17-16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h2,6-7,10-11,13-14H,1,3-5,8-9,12H2/b15-13-,17-16+
InChIKeyKSZFMBBQCWDTNL-OBJKYRPYSA-N
XLogP4.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.59
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 (6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine (CID 166670925) is (6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine is C=C/N=C1\C=CC=C\C1=C\CC1CCCCC1.
What is the InChIKey of (6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine?
The InChIKey is KSZFMBBQCWDTNL-OBJKYRPYSA-N. The full InChI is InChI=1S/C16H21N/c1-2-17-16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h2,6-7,10-11,13-14H,1,3-5,8-9,12H2/b15-13-,17-16+.
What are the key properties of (6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine?
(6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine has a molecular weight of 227.35 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(2-cyclohexylethylidene)-N-ethenylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 166670925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).