(6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine

C24H37N — CID 138746156

IUPAC(6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=CC=C\C1=C(\C=C)C(CCCCCC)CCCCCC
InChIInChI=1S/C24H37N/c1-5-9-11-13-17-21(18-14-12-10-6-2)22(7-3)23-19-15-16-20-24(23)25-8-4/h7-8,15-16,19-21H,3-6,9-14,17-18H2,1-2H3/b23-22+,25-24+
InChIKeyRGZPVOPKRGZHIU-VTJHEJDCSA-N
MW339.57 g/mol
LogP7.74
Rot. Bonds13

About (6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine

(6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 138746156) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is (6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine
PubChem CID138746156
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC Name(6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine
SMILESC=C/N=C1\C=CC=C\C1=C(\C=C)C(CCCCCC)CCCCCC
InChIInChI=1S/C24H37N/c1-5-9-11-13-17-21(18-14-12-10-6-2)22(7-3)23-19-15-16-20-24(23)25-8-4/h7-8,15-16,19-21H,3-6,9-14,17-18H2,1-2H3/b23-22+,25-24+
InChIKeyRGZPVOPKRGZHIU-VTJHEJDCSA-N
XLogP7.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine (CID 138746156) is (6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine is C=C/N=C1\C=CC=C\C1=C(\C=C)C(CCCCCC)CCCCCC.
What is the InChIKey of (6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is RGZPVOPKRGZHIU-VTJHEJDCSA-N. The full InChI is InChI=1S/C24H37N/c1-5-9-11-13-17-21(18-14-12-10-6-2)22(7-3)23-19-15-16-20-24(23)25-8-4/h7-8,15-16,19-21H,3-6,9-14,17-18H2,1-2H3/b23-22+,25-24+.
What are the key properties of (6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine?
(6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 339.57 g/mol, XLogP of 7.74, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 138746156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).